3-methyl-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one

C19H18N2OS — CID 7748818

IUPAC3-methyl-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one
SMILESCn1c(SCCc2ccccc2)nc(-c2ccccc2)cc1=O
InChIInChI=1S/C19H18N2OS/c1-21-18(22)14-17(16-10-6-3-7-11-16)20-19(21)23-13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
InChIKeySKARZACYMHWNCW-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.78
Rot. Bonds5

About 3-methyl-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one

3-methyl-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one (PubChem CID 7748818) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 3-methyl-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one
PubChem CID7748818
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name3-methyl-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one
SMILESCn1c(SCCc2ccccc2)nc(-c2ccccc2)cc1=O
InChIInChI=1S/C19H18N2OS/c1-21-18(22)14-17(16-10-6-3-7-11-16)20-19(21)23-13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
InChIKeySKARZACYMHWNCW-UHFFFAOYSA-N
XLogP3.78
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-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

Related Compounds

3-methyl-6-phenyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)pyrimidin-4-one
CID 118733209
3-[(4-methylphenyl)methyl]-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one
CID 7748815
2-[6-oxo-4-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide
CID 7748819
3-methyl-6-phenyl-2-phenylsulfanylpyrimidin-4-one
CID 162675252
6-benzyl-2-decylsulfanyl-3-methylpyrimidin-4-one
CID 56691069
N-benzyl-4-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-phenylethyl)butanamide
CID 42739377
3-[(4-methylphenyl)methyl]-2-methylsulfanyl-6-phenylpyrimidin-4-one
CID 7748253
3-methyl-2-morpholin-4-yl-6-phenylpyrimidin-4-one
CID 155812528
2-benzylsulfanyl-3-[(2-chlorophenyl)methyl]-6-phenylpyrimidin-4-one
CID 7748642
3-methyl-2-(2-phenylsulfanylethylamino)-6-pyridin-4-ylpyrimidin-4-one
CID 22595651
1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 11460869
sodium [3-(1-methyl-6-oxo-4-phenylpyrimidin-2-yl)-1-phosphonoprop-1-enyl]phosphonic acid
CID 56596718

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one?
The IUPAC name of 3-methyl-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one (CID 7748818) is 3-methyl-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one is Cn1c(SCCc2ccccc2)nc(-c2ccccc2)cc1=O.
What is the InChIKey of 3-methyl-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one?
The InChIKey is SKARZACYMHWNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-21-18(22)14-17(16-10-6-3-7-11-16)20-19(21)23-13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3.
What are the key properties of 3-methyl-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one?
3-methyl-6-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-4-one has a molecular weight of 322.43 g/mol, XLogP of 3.78, 5 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-(2-phenylethylsulfanyl)pyrimidin-4-one is sourced from PubChem (CID 7748818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).