2-(4-phenylphenyl)-1H-pyrimidin-6-one

C16H12N2O — CID 43654623

IUPAC2-(4-phenylphenyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2ccc(-c3ccccc3)cc2)[nH]1
InChIInChI=1S/C16H12N2O/c19-15-10-11-17-16(18-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,17,18,19)
InChIKeyZEZMAEDNHSVOHA-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.10
Rot. Bonds2

About 2-(4-phenylphenyl)-1H-pyrimidin-6-one

2-(4-phenylphenyl)-1H-pyrimidin-6-one (PubChem CID 43654623) has the molecular formula C16H12N2O and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-phenylphenyl)-1H-pyrimidin-6-one
PubChem CID43654623
Molecular FormulaC16H12N2O
Molecular Weight248.28 g/mol
Exact Mass248.09
IUPAC Name2-(4-phenylphenyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(-c2ccc(-c3ccccc3)cc2)[nH]1
InChIInChI=1S/C16H12N2O/c19-15-10-11-17-16(18-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,17,18,19)
InChIKeyZEZMAEDNHSVOHA-UHFFFAOYSA-N
XLogP3.10
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-phenylphenyl)-1H-pyrimidin-6-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 2-(4-phenylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-phenylphenyl)-1H-pyrimidin-6-one (CID 43654623) is 2-(4-phenylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-phenylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-phenylphenyl)-1H-pyrimidin-6-one is O=c1ccnc(-c2ccc(-c3ccccc3)cc2)[nH]1.
What is the InChIKey of 2-(4-phenylphenyl)-1H-pyrimidin-6-one?
The InChIKey is ZEZMAEDNHSVOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-15-10-11-17-16(18-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H,17,18,19).
What are the key properties of 2-(4-phenylphenyl)-1H-pyrimidin-6-one?
2-(4-phenylphenyl)-1H-pyrimidin-6-one has a molecular weight of 248.28 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 43654623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).