5-benzoyl-1-butyl-4-phenylpyrimidin-2-one

C21H20N2O2 — CID 14471999

IUPAC5-benzoyl-1-butyl-4-phenylpyrimidin-2-one
SMILESCCCCn1cc(C(=O)c2ccccc2)c(-c2ccccc2)nc1=O
InChIInChI=1S/C21H20N2O2/c1-2-3-14-23-15-18(20(24)17-12-8-5-9-13-17)19(22-21(23)25)16-10-6-4-7-11-16/h4-13,15H,2-3,14H2,1H3
InChIKeyFLOMOUHLWCHZNN-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.94
Rot. Bonds6

About 5-benzoyl-1-butyl-4-phenylpyrimidin-2-one

5-benzoyl-1-butyl-4-phenylpyrimidin-2-one (PubChem CID 14471999) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-benzoyl-1-butyl-4-phenylpyrimidin-2-one.

Molecular Properties

Compound Name5-benzoyl-1-butyl-4-phenylpyrimidin-2-one
PubChem CID14471999
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name5-benzoyl-1-butyl-4-phenylpyrimidin-2-one
SMILESCCCCn1cc(C(=O)c2ccccc2)c(-c2ccccc2)nc1=O
InChIInChI=1S/C21H20N2O2/c1-2-3-14-23-15-18(20(24)17-12-8-5-9-13-17)19(22-21(23)25)16-10-6-4-7-11-16/h4-13,15H,2-3,14H2,1H3
InChIKeyFLOMOUHLWCHZNN-UHFFFAOYSA-N
XLogP3.94
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-benzoyl-1-butyl-4-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 5-benzoyl-1-butyl-4-phenylpyrimidin-2-one?
The IUPAC name of 5-benzoyl-1-butyl-4-phenylpyrimidin-2-one (CID 14471999) is 5-benzoyl-1-butyl-4-phenylpyrimidin-2-one.
What is the SMILES notation for 5-benzoyl-1-butyl-4-phenylpyrimidin-2-one?
The canonical SMILES for 5-benzoyl-1-butyl-4-phenylpyrimidin-2-one is CCCCn1cc(C(=O)c2ccccc2)c(-c2ccccc2)nc1=O.
What is the InChIKey of 5-benzoyl-1-butyl-4-phenylpyrimidin-2-one?
The InChIKey is FLOMOUHLWCHZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-2-3-14-23-15-18(20(24)17-12-8-5-9-13-17)19(22-21(23)25)16-10-6-4-7-11-16/h4-13,15H,2-3,14H2,1H3.
What are the key properties of 5-benzoyl-1-butyl-4-phenylpyrimidin-2-one?
5-benzoyl-1-butyl-4-phenylpyrimidin-2-one has a molecular weight of 332.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-1-butyl-4-phenylpyrimidin-2-one is sourced from PubChem (CID 14471999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).