1-[2-(4-fluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one

C13H11FN2O2 — CID 55218433

IUPAC1-[2-(4-fluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C13H11FN2O2/c1-9-6-15-13(18)16(7-9)8-12(17)10-2-4-11(14)5-3-10/h2-7H,8H2,1H3
InChIKeyZYWGRZQWYWUYJC-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.57
Rot. Bonds3

About 1-[2-(4-fluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one

1-[2-(4-fluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one (PubChem CID 55218433) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one
PubChem CID55218433
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name1-[2-(4-fluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C13H11FN2O2/c1-9-6-15-13(18)16(7-9)8-12(17)10-2-4-11(14)5-3-10/h2-7H,8H2,1H3
InChIKeyZYWGRZQWYWUYJC-UHFFFAOYSA-N
XLogP1.57
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-fluorophenyl)-2-oxoethyl]-5-methylpyrimidin-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-[2-(4-fluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one (CID 55218433) is 1-[2-(4-fluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one is Cc1cnc(=O)n(CC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one?
The InChIKey is ZYWGRZQWYWUYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-9-6-15-13(18)16(7-9)8-12(17)10-2-4-11(14)5-3-10/h2-7H,8H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one?
1-[2-(4-fluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one has a molecular weight of 246.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 55218433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).