1-benzyl-5-phenylpyrimidin-2-one

C17H14N2O — CID 14318835

IUPAC1-benzyl-5-phenylpyrimidin-2-one
SMILESO=c1ncc(-c2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C17H14N2O/c20-17-18-11-16(15-9-5-2-6-10-15)13-19(17)12-14-7-3-1-4-8-14/h1-11,13H,12H2
InChIKeyBMOXJGJTWJDVPR-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.96
Rot. Bonds3

About 1-benzyl-5-phenylpyrimidin-2-one

1-benzyl-5-phenylpyrimidin-2-one (PubChem CID 14318835) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-benzyl-5-phenylpyrimidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-phenylpyrimidin-2-one
PubChem CID14318835
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name1-benzyl-5-phenylpyrimidin-2-one
SMILESO=c1ncc(-c2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C17H14N2O/c20-17-18-11-16(15-9-5-2-6-10-15)13-19(17)12-14-7-3-1-4-8-14/h1-11,13H,12H2
InChIKeyBMOXJGJTWJDVPR-UHFFFAOYSA-N
XLogP2.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-5-phenylpyrimidin-2-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 1-benzyl-5-phenylpyrimidin-2-one?
The IUPAC name of 1-benzyl-5-phenylpyrimidin-2-one (CID 14318835) is 1-benzyl-5-phenylpyrimidin-2-one.
What is the SMILES notation for 1-benzyl-5-phenylpyrimidin-2-one?
The canonical SMILES for 1-benzyl-5-phenylpyrimidin-2-one is O=c1ncc(-c2ccccc2)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-phenylpyrimidin-2-one?
The InChIKey is BMOXJGJTWJDVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-17-18-11-16(15-9-5-2-6-10-15)13-19(17)12-14-7-3-1-4-8-14/h1-11,13H,12H2.
What are the key properties of 1-benzyl-5-phenylpyrimidin-2-one?
1-benzyl-5-phenylpyrimidin-2-one has a molecular weight of 262.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-phenylpyrimidin-2-one is sourced from PubChem (CID 14318835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).