2-(4-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone

C13H11FN2O2 — CID 102949932

IUPAC2-(4-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone
SMILESCOc1cc(C(=O)Cc2ccc(F)cc2)ncn1
InChIInChI=1S/C13H11FN2O2/c1-18-13-7-11(15-8-16-13)12(17)6-9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3
InChIKeyUGECKMXKBSUYDC-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.05
Rot. Bonds4

About 2-(4-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone

2-(4-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone (PubChem CID 102949932) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone
PubChem CID102949932
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name2-(4-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone
SMILESCOc1cc(C(=O)Cc2ccc(F)cc2)ncn1
InChIInChI=1S/C13H11FN2O2/c1-18-13-7-11(15-8-16-13)12(17)6-9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3
InChIKeyUGECKMXKBSUYDC-UHFFFAOYSA-N
XLogP2.05
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone 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-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone (CID 102949932) is 2-(4-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone is COc1cc(C(=O)Cc2ccc(F)cc2)ncn1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone?
The InChIKey is UGECKMXKBSUYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-18-13-7-11(15-8-16-13)12(17)6-9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone?
2-(4-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone has a molecular weight of 246.24 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanone is sourced from PubChem (CID 102949932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).