4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one

C12H12N2O4S — CID 65431560

IUPAC4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one
SMILESCS(=O)(=O)Cc1nc(O)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H12N2O4S/c1-19(17,18)7-9-13-11(15)10(12(16)14-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,13,14,15,16)
InChIKeyLTLHYOVKWUDYQX-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.69
Rot. Bonds3

About 4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one

4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one (PubChem CID 65431560) has the molecular formula C12H12N2O4S and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one
PubChem CID65431560
Molecular FormulaC12H12N2O4S
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Name4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one
SMILESCS(=O)(=O)Cc1nc(O)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H12N2O4S/c1-19(17,18)7-9-13-11(15)10(12(16)14-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,13,14,15,16)
InChIKeyLTLHYOVKWUDYQX-UHFFFAOYSA-N
XLogP0.69
TPSA100.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one (CID 65431560) is 4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one is CS(=O)(=O)Cc1nc(O)c(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one?
The InChIKey is LTLHYOVKWUDYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-19(17,18)7-9-13-11(15)10(12(16)14-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one?
4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one has a molecular weight of 280.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(methylsulfonylmethyl)-5-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 65431560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).