4-hydroxy-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one

C11H10N2O3S — CID 11096993

IUPAC4-hydroxy-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1Sc1c(O)nc[nH]c1=O
InChIInChI=1S/C11H10N2O3S/c1-16-7-4-2-3-5-8(7)17-9-10(14)12-6-13-11(9)15/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyYDUAOJPPBAUYDZ-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.64
Rot. Bonds3

About 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one

4-hydroxy-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 11096993) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID11096993
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name4-hydroxy-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1Sc1c(O)nc[nH]c1=O
InChIInChI=1S/C11H10N2O3S/c1-16-7-4-2-3-5-8(7)17-9-10(14)12-6-13-11(9)15/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyYDUAOJPPBAUYDZ-UHFFFAOYSA-N
XLogP1.64
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4(1H)-Pyrimidinone, 2-((2-methoxyphenyl)thio)-6-(1-methylpropoxy)-
CID 478069
2,4-diamino-5-(3-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one
CID 135434139
2,4-diamino-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one
CID 135434144
2,4-diamino-5-(2,5-dimethoxyphenyl)sulfanyl-1H-pyrimidin-6-one
CID 135434148
6-Amino-2-fluoro-5-(2-methoxyphenyl)sulfanyl-3-methylpyrimidin-4-one
CID 145210098
4-hydroxy-5-(2-methylsulfanylphenoxy)-1H-pyrimidin-6-one
CID 19095636
4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-methyl-1H-pyrimidin-6-one
CID 19934731
4-hydroxy-5-(2-methoxyphenyl)sulfanyl-2-(6-oxo-1H-pyrimidin-2-yl)-1H-pyrimidin-6-one
CID 54288480
5-(2-Methoxyphenyl)sulfanyl-1,4,5,6-tetrahydropyrimidine
CID 142657101
4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one
CID 103241348
5-iodo-4-(4-methylsulfonylphenoxy)-1H-pyrimidin-6-one
CID 113616063
5-iodo-4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one
CID 113616064

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one (CID 11096993) is 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one is COc1ccccc1Sc1c(O)nc[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is YDUAOJPPBAUYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-16-7-4-2-3-5-8(7)17-9-10(14)12-6-13-11(9)15/h2-6H,1H3,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one?
4-hydroxy-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 250.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-methoxyphenyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 11096993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).