3-benzhydryl-6-methyl-2-methylsulfanylpyrimidin-4-one

C19H18N2OS — CID 7748132

IUPAC3-benzhydryl-6-methyl-2-methylsulfanylpyrimidin-4-one
SMILESCSc1nc(C)cc(=O)n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18N2OS/c1-14-13-17(22)21(19(20-14)23-2)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,18H,1-2H3
InChIKeyVUOMTDVYTXXTAZ-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.91
Rot. Bonds4

About 3-benzhydryl-6-methyl-2-methylsulfanylpyrimidin-4-one

3-benzhydryl-6-methyl-2-methylsulfanylpyrimidin-4-one (PubChem CID 7748132) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 3-benzhydryl-6-methyl-2-methylsulfanylpyrimidin-4-one.

Molecular Properties

Compound Name3-benzhydryl-6-methyl-2-methylsulfanylpyrimidin-4-one
PubChem CID7748132
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name3-benzhydryl-6-methyl-2-methylsulfanylpyrimidin-4-one
SMILESCSc1nc(C)cc(=O)n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18N2OS/c1-14-13-17(22)21(19(20-14)23-2)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,18H,1-2H3
InChIKeyVUOMTDVYTXXTAZ-UHFFFAOYSA-N
XLogP3.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzhydryl-6-methyl-2-methylsulfanylpyrimidin-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-benzhydryl-2-benzylsulfanyl-6-methylpyrimidin-4-one
CID 7748571
3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one
CID 63768475
1-benzhydryl-4,6,8-trimethylquinolin-2-one
CID 39765002
2-[3-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)propyl]isoindole-1,3-dione
CID 7748200
2,10-dimethylazecine
CID 126659012
2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde
CID 87096774
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,3-diphenylpropyl)butanamide
CID 42739469
2,6-dimethyl-3-phenylpyrimidin-4-one
CID 608225
5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide
CID 42739353
2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7748800
CID 88970130
CID 88970130
(2S)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-2-phenylacetic acid
CID 94218923

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-6-methyl-2-methylsulfanylpyrimidin-4-one?
The IUPAC name of 3-benzhydryl-6-methyl-2-methylsulfanylpyrimidin-4-one (CID 7748132) is 3-benzhydryl-6-methyl-2-methylsulfanylpyrimidin-4-one.
What is the SMILES notation for 3-benzhydryl-6-methyl-2-methylsulfanylpyrimidin-4-one?
The canonical SMILES for 3-benzhydryl-6-methyl-2-methylsulfanylpyrimidin-4-one is CSc1nc(C)cc(=O)n1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydryl-6-methyl-2-methylsulfanylpyrimidin-4-one?
The InChIKey is VUOMTDVYTXXTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-14-13-17(22)21(19(20-14)23-2)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,18H,1-2H3.
What are the key properties of 3-benzhydryl-6-methyl-2-methylsulfanylpyrimidin-4-one?
3-benzhydryl-6-methyl-2-methylsulfanylpyrimidin-4-one has a molecular weight of 322.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-6-methyl-2-methylsulfanylpyrimidin-4-one is sourced from PubChem (CID 7748132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).