4-hydroxy-2,5-diphenyl-1H-pyrimidin-6-one

C16H12N2O2 — CID 824766

IUPAC4-hydroxy-2,5-diphenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccc2)nc(O)c1-c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-15-13(11-7-3-1-4-8-11)16(20)18-14(17-15)12-9-5-2-6-10-12/h1-10H,(H2,17,18,19,20)
InChIKeyXYXQJMOZTJTMBV-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.81
Rot. Bonds2

About 4-hydroxy-2,5-diphenyl-1H-pyrimidin-6-one

4-hydroxy-2,5-diphenyl-1H-pyrimidin-6-one (PubChem CID 824766) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-hydroxy-2,5-diphenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2,5-diphenyl-1H-pyrimidin-6-one
PubChem CID824766
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name4-hydroxy-2,5-diphenyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccccc2)nc(O)c1-c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-15-13(11-7-3-1-4-8-11)16(20)18-14(17-15)12-9-5-2-6-10-12/h1-10H,(H2,17,18,19,20)
InChIKeyXYXQJMOZTJTMBV-UHFFFAOYSA-N
XLogP2.81
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-2,5-diphenyl-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 4-hydroxy-2,5-diphenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2,5-diphenyl-1H-pyrimidin-6-one (CID 824766) is 4-hydroxy-2,5-diphenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2,5-diphenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2,5-diphenyl-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccccc2)nc(O)c1-c1ccccc1.
What is the InChIKey of 4-hydroxy-2,5-diphenyl-1H-pyrimidin-6-one?
The InChIKey is XYXQJMOZTJTMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-15-13(11-7-3-1-4-8-11)16(20)18-14(17-15)12-9-5-2-6-10-12/h1-10H,(H2,17,18,19,20).
What are the key properties of 4-hydroxy-2,5-diphenyl-1H-pyrimidin-6-one?
4-hydroxy-2,5-diphenyl-1H-pyrimidin-6-one has a molecular weight of 264.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,5-diphenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 824766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).