Pyrimidines And Derivatives

Aromatic organic compounds that consist of an aromatic six-membered ring containing two non-adjacent nitrogen atoms and four carbon atoms; includes compounds derived from pyrimidines.

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Thymine, 97%

CAS: 65-71-4 Formula molecolare: C5H6N2O2 Molecular Weight (g/mol): 126.115 Numero MDL: MFCD00006026 InChI Key: RWQNBRDOKXIBIV-UHFFFAOYSA-N Sinonimo: thymine,5-methyluracil,thymin,2,4-dihydroxy-5-methylpyrimidine,thymine anhydrate,2,4 1h,3h-pyrimidinedione, 5-methyl,5-methylpyrimidine-2,4 1h,3h-dione,5-methyl-2,4 1h,3h-pyrimidinedione,thymin purine base,5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 1135 ChEBI: CHEBI:17821 IUPAC Name: 5-methyl-1H-pyrimidine-2,4-dione SMILES: CC1=CNC(=O)NC1=O

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Sinonimo	thymine,5-methyluracil,thymin,2,4-dihydroxy-5-methylpyrimidine,thymine anhydrate,2,4 1h,3h-pyrimidinedione, 5-methyl,5-methylpyrimidine-2,4 1h,3h-dione,5-methyl-2,4 1h,3h-pyrimidinedione,thymin purine base,5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Numero MDL	MFCD00006026
PubChem CID	1135
Formula molecolare	C5H6N2O2
CAS	65-71-4
Molecular Weight (g/mol)	126.115
ChEBI	CHEBI:17821
SMILES	CC1=CNC(=O)NC1=O
IUPAC Name	5-methyl-1H-pyrimidine-2,4-dione
InChI Key	RWQNBRDOKXIBIV-UHFFFAOYSA-N

Thiamine hydrochloride, 99% (dry wt.), may cont. up to 5% water

CAS: 67-03-8 Formula molecolare: C12H18Cl2N4OS Molecular Weight (g/mol): 337.263 Numero MDL: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Sinonimo: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-ammino-2-metilpirimidina-5-il)metil]-4-metil-1,3-tiazol-3-io-5-il]etanolo;cloruro;cloridrato SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

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Sinonimo	thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride
Numero MDL	MFCD00012780
PubChem CID	6202
Formula molecolare	C12H18Cl2N4OS
CAS	67-03-8
Molecular Weight (g/mol)	337.263
ChEBI	CHEBI:49105
SMILES	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
IUPAC Name	2-[3-[(4-ammino-2-metilpirimidina-5-il)metil]-4-metil-1,3-tiazol-3-io-5-il]etanolo;cloruro;cloridrato
InChI Key	DPJRMOMPQZCRJU-UHFFFAOYSA-M

Barbituric acid, 99%

CAS: 67-52-7 Formula molecolare: C4H4N2O3 Molecular Weight (g/mol): 128.09 Numero MDL: MFCD00006666 InChI Key: HNYOPLTXPVRDBG-UHFFFAOYSA-N Sinonimo: barbituric acid,malonylurea,2,4,6 1h,3h,5h-pyrimidinetrione,6-hydroxyuracil,pyrimidinetrione,2,4,6-trihydroxypyrimidine,2,4,6-pyrimidinetrione,pyrimidine-2,4,6 1h,3h,5h-trione,barbiturate,malonylharnstoff PubChem CID: 6211 ChEBI: CHEBI:16294 IUPAC Name: 1,3-diazinane-2,4,6-trione SMILES: O=C1CC(=O)NC(=O)N1

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Sinonimo	barbituric acid,malonylurea,2,4,6 1h,3h,5h-pyrimidinetrione,6-hydroxyuracil,pyrimidinetrione,2,4,6-trihydroxypyrimidine,2,4,6-pyrimidinetrione,pyrimidine-2,4,6 1h,3h,5h-trione,barbiturate,malonylharnstoff
Numero MDL	MFCD00006666
PubChem CID	6211
Formula molecolare	C4H4N2O3
CAS	67-52-7
Molecular Weight (g/mol)	128.09
ChEBI	CHEBI:16294
SMILES	O=C1CC(=O)NC(=O)N1
IUPAC Name	1,3-diazinane-2,4,6-trione
InChI Key	HNYOPLTXPVRDBG-UHFFFAOYSA-N

Thymine, 99%

CAS: 65-71-4 Formula molecolare: C₅H₆N₂O₂ Molecular Weight (g/mol): 126.11 Numero MDL: MFCD00006026 InChI Key: RWQNBRDOKXIBIV-UHFFFAOYSA-N Sinonimo: thymine,5-methyluracil,thymin,2,4-dihydroxy-5-methylpyrimidine,thymine anhydrate,2,4 1h,3h-pyrimidinedione, 5-methyl,5-methylpyrimidine-2,4 1h,3h-dione,5-methyl-2,4 1h,3h-pyrimidinedione,thymin purine base,5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione PubChem CID: 1135 ChEBI: CHEBI:17821 IUPAC Name: 5-methyl-1H-pyrimidine-2,4-dione SMILES: CC1=CNC(=O)NC1=O

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Sinonimo	thymine,5-methyluracil,thymin,2,4-dihydroxy-5-methylpyrimidine,thymine anhydrate,2,4 1h,3h-pyrimidinedione, 5-methyl,5-methylpyrimidine-2,4 1h,3h-dione,5-methyl-2,4 1h,3h-pyrimidinedione,thymin purine base,5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Numero MDL	MFCD00006026
PubChem CID	1135
Formula molecolare	C₅H₆N₂O₂
CAS	65-71-4
Molecular Weight (g/mol)	126.11
ChEBI	CHEBI:17821
SMILES	CC1=CNC(=O)NC1=O
IUPAC Name	5-methyl-1H-pyrimidine-2,4-dione
InChI Key	RWQNBRDOKXIBIV-UHFFFAOYSA-N

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Thermo Scientific Chemicals Thiamine hydrochloride, 98.5-101.5%

CAS: 67-03-8 Formula molecolare: C₁₂H₁₇ClN₄OS·HCl Molecular Weight (g/mol): 337.26 Numero MDL: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Sinonimo: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-ammino-2-metilpirimidina-5-il)metil]-4-metil-1,3-tiazol-3-io-5-il]etanolo;cloruro;cloridrato SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

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Sinonimo	thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride
Numero MDL	MFCD00012780
PubChem CID	6202
Formula molecolare	C₁₂H₁₇ClN₄OS·HCl
CAS	67-03-8
Molecular Weight (g/mol)	337.26
ChEBI	CHEBI:49105
SMILES	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
IUPAC Name	2-[3-[(4-ammino-2-metilpirimidina-5-il)metil]-4-metil-1,3-tiazol-3-io-5-il]etanolo;cloruro;cloridrato
InChI Key	DPJRMOMPQZCRJU-UHFFFAOYSA-M

Thermo Scientific Chemicals Uracil, 99+%

CAS: 66-22-8 Formula molecolare: C4H4N2O2 Molecular Weight (g/mol): 112.09 Numero MDL: MFCD00006016 InChI Key: ISAKRJDGNUQOIC-UHFFFAOYSA-N Sinonimo: uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x PubChem CID: 1174 ChEBI: CHEBI:17568 IUPAC Name: 1H-pyrimidine-2,4-dione SMILES: O=C1NC=CC(=O)N1

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Sinonimo	uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x
Numero MDL	MFCD00006016
PubChem CID	1174
Formula molecolare	C4H4N2O2
CAS	66-22-8
Molecular Weight (g/mol)	112.09
ChEBI	CHEBI:17568
SMILES	O=C1NC=CC(=O)N1
IUPAC Name	1H-pyrimidine-2,4-dione
InChI Key	ISAKRJDGNUQOIC-UHFFFAOYSA-N

5-Fluorouracil, 99%

CAS: 51-21-8 Formula molecolare: C4H3FN2O2 Molecular Weight (g/mol): 130.08 Numero MDL: MFCD00006018 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N Sinonimo: 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton PubChem CID: 3385 ChEBI: CHEBI:46345 IUPAC Name: 5-fluoro-1H-pyrimidine-2,4-dione SMILES: FC1=CNC(=O)NC1=O

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Sinonimo	5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton
Numero MDL	MFCD00006018
PubChem CID	3385
Formula molecolare	C4H3FN2O2
CAS	51-21-8
Molecular Weight (g/mol)	130.08
ChEBI	CHEBI:46345
SMILES	FC1=CNC(=O)NC1=O
IUPAC Name	5-fluoro-1H-pyrimidine-2,4-dione
InChI Key	GHASVSINZRGABV-UHFFFAOYSA-N

2-Aminopyrimidine, 98%

CAS: 109-12-6 Formula molecolare: C4H5N3 Molecular Weight (g/mol): 95.11 Numero MDL: MFCD00006089 InChI Key: LJXQPZWIHJMPQQ-UHFFFAOYSA-N Sinonimo: 2-aminopyrimidine,2-pyrimidinamine,pyrimidin-2-ylamine,pyrimidinamine,aminopyrimidine,2-pyrimidiylamine,pyrimidine, 2-amino,2-pyridiylamine,1,2-dihydro-2-iminopyrimidine,pyrimidine, amino PubChem CID: 7978 ChEBI: CHEBI:38618 IUPAC Name: pyrimidin-2-amine SMILES: NC1=NC=CC=N1

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Sinonimo	2-aminopyrimidine,2-pyrimidinamine,pyrimidin-2-ylamine,pyrimidinamine,aminopyrimidine,2-pyrimidiylamine,pyrimidine, 2-amino,2-pyridiylamine,1,2-dihydro-2-iminopyrimidine,pyrimidine, amino
Numero MDL	MFCD00006089
PubChem CID	7978
Formula molecolare	C4H5N3
CAS	109-12-6
Molecular Weight (g/mol)	95.11
ChEBI	CHEBI:38618
SMILES	NC1=NC=CC=N1
IUPAC Name	pyrimidin-2-amine
InChI Key	LJXQPZWIHJMPQQ-UHFFFAOYSA-N

Methyl orotate, 95%

CAS: 6153-44-2 Formula molecolare: C6H6N2O4 Molecular Weight (g/mol): 170.12 Numero MDL: MFCD00010564 InChI Key: UUTDWTOZAWFKFW-UHFFFAOYSA-N Sinonimo: methyl orotate,orotic acid methyl ester,methyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate,unii-41c6ifg4mq,4-pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, methyl ester,6-carbomethyoxyuracil,41c6ifg4mq,methyl 2,6-dihydroxypyrimidine-4-carboxylate,methyl 2,6-dihydroxy-4-pyrimidinecarboxylate,methyl 2,6-dioxo-1,3-dihydropyrimidine-4-carboxylate PubChem CID: 80257 IUPAC Name: methyl 2,4-dioxo-1H-pyrimidine-6-carboxylate SMILES: COC(=O)C1=CC(=O)NC(=O)N1

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Sinonimo	methyl orotate,orotic acid methyl ester,methyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate,unii-41c6ifg4mq,4-pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, methyl ester,6-carbomethyoxyuracil,41c6ifg4mq,methyl 2,6-dihydroxypyrimidine-4-carboxylate,methyl 2,6-dihydroxy-4-pyrimidinecarboxylate,methyl 2,6-dioxo-1,3-dihydropyrimidine-4-carboxylate
Numero MDL	MFCD00010564
PubChem CID	80257
Formula molecolare	C6H6N2O4
CAS	6153-44-2
Molecular Weight (g/mol)	170.12
SMILES	COC(=O)C1=CC(=O)NC(=O)N1
IUPAC Name	methyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
InChI Key	UUTDWTOZAWFKFW-UHFFFAOYSA-N

1,3-Diethyl-2-thiobarbituric acid, 99%

CAS: 5217-47-0 Formula molecolare: C8H12N2O2S Molecular Weight (g/mol): 200.26 Numero MDL: MFCD00006676 InChI Key: SHBTUGJAKBRBBJ-UHFFFAOYSA-N Sinonimo: 1,3-diethyl-2-thiobarbituric acid,1,3-diethylthiobarbituric acid,n,n'-diethylthiobarbituric acid,n,n'-diethyl-2-thiobarbituric acid,1,3-diethyl-2-thioxodihydropyrimidine-4,6 1h,5h-dione,unii-bxb40m6a7w,4,6 1h,5h-pyrimidinedione, 1,3-diethyldihydro-2-thioxo,barbituric acid, 1,3-diethyl-2-thio,bxb40m6a7w,1,3-diethyldihydro-2-thioxopyrimidine-4,6 1h,5h-dione PubChem CID: 78890 IUPAC Name: 1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione SMILES: CCN1C(=O)CC(=O)N(CC)C1=S

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Sinonimo	1,3-diethyl-2-thiobarbituric acid,1,3-diethylthiobarbituric acid,n,n'-diethylthiobarbituric acid,n,n'-diethyl-2-thiobarbituric acid,1,3-diethyl-2-thioxodihydropyrimidine-4,6 1h,5h-dione,unii-bxb40m6a7w,4,6 1h,5h-pyrimidinedione, 1,3-diethyldihydro-2-thioxo,barbituric acid, 1,3-diethyl-2-thio,bxb40m6a7w,1,3-diethyldihydro-2-thioxopyrimidine-4,6 1h,5h-dione
Numero MDL	MFCD00006676
PubChem CID	78890
Formula molecolare	C8H12N2O2S
CAS	5217-47-0
Molecular Weight (g/mol)	200.26
SMILES	CCN1C(=O)CC(=O)N(CC)C1=S
IUPAC Name	1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
InChI Key	SHBTUGJAKBRBBJ-UHFFFAOYSA-N

5-Fluorocytosine, 98+%

CAS: 2022-85-7 Formula molecolare: C4H4FN3O Molecular Weight (g/mol): 129.09 Numero MDL: MFCD00006035,MFCD00179326,MFCD03547958 InChI Key: XRECTZIEBJDKEO-UHFFFAOYSA-N Sinonimo: 5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine PubChem CID: 3366 ChEBI: CHEBI:5100 SMILES: NC1=C(F)C=NC(=O)N1

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Sinonimo	5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine
Numero MDL	MFCD00006035,MFCD00179326,MFCD03547958
PubChem CID	3366
Formula molecolare	C4H4FN3O
CAS	2022-85-7
Molecular Weight (g/mol)	129.09
ChEBI	CHEBI:5100
SMILES	NC1=C(F)C=NC(=O)N1
InChI Key	XRECTZIEBJDKEO-UHFFFAOYSA-N

Guanosine, 99%

CAS: 118-00-3 Formula molecolare: C10H13N5O5 Molecular Weight (g/mol): 283.24 Numero MDL: MFCD00010182 InChI Key: NYHBQMYGNKIUIF-UUOKFMHZSA-N Sinonimo: guanosine,guanine riboside,vernine,guanozin,guanosin,inosine, 2-amino,usaf cb-11,vernine van,l-guanosine,9-beta-d-ribofuranosylguanine PubChem CID: 6802 ChEBI: CHEBI:16750 SMILES: NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1

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Sinonimo	guanosine,guanine riboside,vernine,guanozin,guanosin,inosine, 2-amino,usaf cb-11,vernine van,l-guanosine,9-beta-d-ribofuranosylguanine
Numero MDL	MFCD00010182
PubChem CID	6802
Formula molecolare	C10H13N5O5
CAS	118-00-3
Molecular Weight (g/mol)	283.24
ChEBI	CHEBI:16750
SMILES	NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1
InChI Key	NYHBQMYGNKIUIF-UUOKFMHZSA-N

4,6-Dihydroxy-2-mercaptopyrimidine, 98%

CAS: 504-17-6 Formula molecolare: C4H4N2O2S Molecular Weight (g/mol): 144.15 Numero MDL: MFCD00006674 InChI Key: RVBUGGBMJDPOST-UHFFFAOYSA-N Sinonimo: 2-thiobarbituric acid,thiobarbituric acid,bathyran,austranal,4,6-dihydroxy-2-thiopyrimidine,2-thioxodihydropyrimidine-4,6 1h,5h-dione,2-thio-4,6-dioxypyrimidine,usaf ek-660,4,6 1h,5h-pyrimidinedione, dihydro-2-thioxo,2-mercaptobarbituric acid PubChem CID: 2723628 ChEBI: CHEBI:33202 IUPAC Name: 2-sulfanylidene-1,3-diazinane-4,6-dione SMILES: O=C1CC(=O)NC(=S)N1

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Sinonimo	2-thiobarbituric acid,thiobarbituric acid,bathyran,austranal,4,6-dihydroxy-2-thiopyrimidine,2-thioxodihydropyrimidine-4,6 1h,5h-dione,2-thio-4,6-dioxypyrimidine,usaf ek-660,4,6 1h,5h-pyrimidinedione, dihydro-2-thioxo,2-mercaptobarbituric acid
Numero MDL	MFCD00006674
PubChem CID	2723628
Formula molecolare	C4H4N2O2S
CAS	504-17-6
Molecular Weight (g/mol)	144.15
ChEBI	CHEBI:33202
SMILES	O=C1CC(=O)NC(=S)N1
IUPAC Name	2-sulfanylidene-1,3-diazinane-4,6-dione
InChI Key	RVBUGGBMJDPOST-UHFFFAOYSA-N

2-Amino-4-hydroxy-6-methylpyrimidine, 98%

CAS: 3977-29-5 Formula molecolare: C5H7N3O Molecular Weight (g/mol): 125.131 Numero MDL: MFCD00006095 InChI Key: KWXIPEYKZKIAKR-UHFFFAOYSA-N Sinonimo: 2-amino-4-hydroxy-6-methylpyrimidine,2-amino-6-methylpyrimidin-4-ol,6-methylisocytosine,mecytosine,2-amino-6-methylpyrimidin-4 3h-one,superacil,superacyl,4-methylisocytosine,2-amino-6-hydroxy-4-methylpyrimidine,2-amino-6-methyl-4-pyrimidinol PubChem CID: 1532 ChEBI: CHEBI:58959 IUPAC Name: 2-amino-6-methyl-1H-pyrimidin-4-one SMILES: CC1=CC(=O)N=C(N1)N

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Sinonimo	2-amino-4-hydroxy-6-methylpyrimidine,2-amino-6-methylpyrimidin-4-ol,6-methylisocytosine,mecytosine,2-amino-6-methylpyrimidin-4 3h-one,superacil,superacyl,4-methylisocytosine,2-amino-6-hydroxy-4-methylpyrimidine,2-amino-6-methyl-4-pyrimidinol
Numero MDL	MFCD00006095
PubChem CID	1532
Formula molecolare	C5H7N3O
CAS	3977-29-5
Molecular Weight (g/mol)	125.131
ChEBI	CHEBI:58959
SMILES	CC1=CC(=O)N=C(N1)N
IUPAC Name	2-amino-6-methyl-1H-pyrimidin-4-one
InChI Key	KWXIPEYKZKIAKR-UHFFFAOYSA-N

Orotic acid, anhydrous, 97%

CAS: 65-86-1 Formula molecolare: C5H4N2O4 Molecular Weight (g/mol): 156.097 Numero MDL: MFCD00006027 InChI Key: PXQPEWDEAKTCGB-UHFFFAOYSA-N Sinonimo: orotic acid,6-carboxyuracil,orodin,oropur,orotonin,orotonsan,oroturic,orotyl,vitamin b13,whey factor PubChem CID: 967 ChEBI: CHEBI:16742 IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid SMILES: C1=C(NC(=O)NC1=O)C(=O)O

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Specifiche

Sinonimo	orotic acid,6-carboxyuracil,orodin,oropur,orotonin,orotonsan,oroturic,orotyl,vitamin b13,whey factor
Numero MDL	MFCD00006027
PubChem CID	967
Formula molecolare	C5H4N2O4
CAS	65-86-1
Molecular Weight (g/mol)	156.097
ChEBI	CHEBI:16742
SMILES	C1=C(NC(=O)NC1=O)C(=O)O
IUPAC Name	2,4-dioxo-1H-pyrimidine-6-carboxylic acid
InChI Key	PXQPEWDEAKTCGB-UHFFFAOYSA-N

Pyrimidines And Derivatives

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