3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-one

C17H14N2OS — CID 162675252

IUPAC3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-one
SMILESCn1c(Sc2ccccc2)nc(-c2ccccc2)cc1=O
InChIInChI=1S/C17H14N2OS/c1-19-16(20)12-15(13-8-4-2-5-9-13)18-17(19)21-14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyMIKPYUVCRUCLQW-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.60
Rot. Bonds3

About 3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-one

3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-one (PubChem CID 162675252) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-one
PubChem CID162675252
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-one
SMILESCn1c(Sc2ccccc2)nc(-c2ccccc2)cc1=O
InChIInChI=1S/C17H14N2OS/c1-19-16(20)12-15(13-8-4-2-5-9-13)18-17(19)21-14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyMIKPYUVCRUCLQW-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-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 3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-one?
The IUPAC name of 3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-one (CID 162675252) is 3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-one?
The canonical SMILES for 3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-one is Cn1c(Sc2ccccc2)nc(-c2ccccc2)cc1=O.
What is the InChIKey of 3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-one?
The InChIKey is MIKPYUVCRUCLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-19-16(20)12-15(13-8-4-2-5-9-13)18-17(19)21-14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of 3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-one?
3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-one has a molecular weight of 294.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-one is sourced from PubChem (CID 162675252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).