4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one

C12H12N2O2S — CID 137025507

IUPAC4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCOc1cccc(-c2cc(=O)[nH]c(SC)n2)c1
InChIInChI=1S/C12H12N2O2S/c1-16-9-5-3-4-8(6-9)10-7-11(15)14-12(13-10)17-2/h3-7H,1-2H3,(H,13,14,15)
InChIKeyNPFMEPYLDAYVGT-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.17
Rot. Bonds3

About 4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one

4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 137025507) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID137025507
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCOc1cccc(-c2cc(=O)[nH]c(SC)n2)c1
InChIInChI=1S/C12H12N2O2S/c1-16-9-5-3-4-8(6-9)10-7-11(15)14-12(13-10)17-2/h3-7H,1-2H3,(H,13,14,15)
InChIKeyNPFMEPYLDAYVGT-UHFFFAOYSA-N
XLogP2.17
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135682232
2-[[4-(3-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoic acid
CID 136923212
4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 139270583
4-(3-methoxyphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802817
2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
CID 135645510
4-(3,4-dimethylphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137025492
2-methylsulfanyl-4-quinoxalin-6-yl-1H-pyrimidin-6-one
CID 135884447
3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135421750
2-(4-bromo-2-fluoroanilino)-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136741066
4-(2,1,3-benzothiadiazol-5-yl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135884459
4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 136685789
4-(3-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135762492

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one (CID 137025507) is 4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one is COc1cccc(-c2cc(=O)[nH]c(SC)n2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is NPFMEPYLDAYVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-16-9-5-3-4-8(6-9)10-7-11(15)14-12(13-10)17-2/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 248.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137025507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).