3-phenacyl-6-phenylpyrimidin-4-one

C18H14N2O2 — CID 30462720

IUPAC3-phenacyl-6-phenylpyrimidin-4-one
SMILESO=C(Cn1cnc(-c2ccccc2)cc1=O)c1ccccc1
InChIInChI=1S/C18H14N2O2/c21-17(15-9-5-2-6-10-15)12-20-13-19-16(11-18(20)22)14-7-3-1-4-8-14/h1-11,13H,12H2
InChIKeyKKUXQJKQEACJSS-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.79
Rot. Bonds4

About 3-phenacyl-6-phenylpyrimidin-4-one

3-phenacyl-6-phenylpyrimidin-4-one (PubChem CID 30462720) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-phenacyl-6-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-phenacyl-6-phenylpyrimidin-4-one
PubChem CID30462720
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name3-phenacyl-6-phenylpyrimidin-4-one
SMILESO=C(Cn1cnc(-c2ccccc2)cc1=O)c1ccccc1
InChIInChI=1S/C18H14N2O2/c21-17(15-9-5-2-6-10-15)12-20-13-19-16(11-18(20)22)14-7-3-1-4-8-14/h1-11,13H,12H2
InChIKeyKKUXQJKQEACJSS-UHFFFAOYSA-N
XLogP2.79
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-phenacyl-6-phenylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 3-phenacyl-6-phenylpyrimidin-4-one?
The IUPAC name of 3-phenacyl-6-phenylpyrimidin-4-one (CID 30462720) is 3-phenacyl-6-phenylpyrimidin-4-one.
What is the SMILES notation for 3-phenacyl-6-phenylpyrimidin-4-one?
The canonical SMILES for 3-phenacyl-6-phenylpyrimidin-4-one is O=C(Cn1cnc(-c2ccccc2)cc1=O)c1ccccc1.
What is the InChIKey of 3-phenacyl-6-phenylpyrimidin-4-one?
The InChIKey is KKUXQJKQEACJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-17(15-9-5-2-6-10-15)12-20-13-19-16(11-18(20)22)14-7-3-1-4-8-14/h1-11,13H,12H2.
What are the key properties of 3-phenacyl-6-phenylpyrimidin-4-one?
3-phenacyl-6-phenylpyrimidin-4-one has a molecular weight of 290.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenacyl-6-phenylpyrimidin-4-one is sourced from PubChem (CID 30462720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).