6-hydroxy-3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one

C12H12N2O3S — CID 135420389

IUPAC6-hydroxy-3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one
SMILESCOc1ccccc1-n1c(SC)nc(O)cc1=O
InChIInChI=1S/C12H12N2O3S/c1-17-9-6-4-3-5-8(9)14-11(16)7-10(15)13-12(14)18-2/h3-7,15H,1-2H3
InChIKeyQDPVDWCLMQAXGH-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.67
Rot. Bonds3

About 6-hydroxy-3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one

6-hydroxy-3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one (PubChem CID 135420389) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 6-hydroxy-3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one
PubChem CID135420389
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name6-hydroxy-3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one
SMILESCOc1ccccc1-n1c(SC)nc(O)cc1=O
InChIInChI=1S/C12H12N2O3S/c1-17-9-6-4-3-5-8(9)14-11(16)7-10(15)13-12(14)18-2/h3-7,15H,1-2H3
InChIKeyQDPVDWCLMQAXGH-UHFFFAOYSA-N
XLogP1.67
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5Z)-5-(4-methoxybenzylidene)-3-(2-methoxyphenyl)-2-(methylthio)-3,5-dihydro-4H-imidazol-4-one
CID 16193804
3-(2-methoxyphenyl)-2-(propylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 2155273
carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester
CID 224935
2-Butyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one
CID 137223238
N-cyano-N'-propan-2-ylcarbamimidothioic acid [2-(2-methoxyanilino)-2-oxoethyl] ester
CID 660496
2-(4,6-Dihydroxy-pyrimidin-2-ylsulfanyl)-N-(2,4-dimethoxy-phenyl)-acetamide
CID 864696
N-(4-fluorophenyl)-2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 2155253
7-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2461965
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 15945708
N-{2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}acetamide
CID 16009609
2-((4-hydroxy-1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)-N-(4-methoxyphenyl)acetamide
CID 135412536
2-[6-hydroxy-1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 135419164

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one?
The IUPAC name of 6-hydroxy-3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one (CID 135420389) is 6-hydroxy-3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one?
The canonical SMILES for 6-hydroxy-3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one is COc1ccccc1-n1c(SC)nc(O)cc1=O.
What is the InChIKey of 6-hydroxy-3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one?
The InChIKey is QDPVDWCLMQAXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-17-9-6-4-3-5-8(9)14-11(16)7-10(15)13-12(14)18-2/h3-7,15H,1-2H3.
What are the key properties of 6-hydroxy-3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one?
6-hydroxy-3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one has a molecular weight of 264.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one is sourced from PubChem (CID 135420389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).