(5-fluoro-2-methylphenyl)-(6-methoxypyrimidin-4-yl)methanone

C13H11FN2O2 — CID 102949892

IUPAC(5-fluoro-2-methylphenyl)-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)c2cc(F)ccc2C)ncn1
InChIInChI=1S/C13H11FN2O2/c1-8-3-4-9(14)5-10(8)13(17)11-6-12(18-2)16-7-15-11/h3-7H,1-2H3
InChIKeyNKRJDPJYNVOKLI-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.16
Rot. Bonds3

About (5-fluoro-2-methylphenyl)-(6-methoxypyrimidin-4-yl)methanone

(5-fluoro-2-methylphenyl)-(6-methoxypyrimidin-4-yl)methanone (PubChem CID 102949892) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(6-methoxypyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(6-methoxypyrimidin-4-yl)methanone
PubChem CID102949892
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name(5-fluoro-2-methylphenyl)-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)c2cc(F)ccc2C)ncn1
InChIInChI=1S/C13H11FN2O2/c1-8-3-4-9(14)5-10(8)13(17)11-6-12(18-2)16-7-15-11/h3-7H,1-2H3
InChIKeyNKRJDPJYNVOKLI-UHFFFAOYSA-N
XLogP2.16
TPSA52.08 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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-fluoro-2-methylphenyl)-(6-methoxypyrimidin-4-yl)methanone 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 (5-fluoro-2-methylphenyl)-(6-methoxypyrimidin-4-yl)methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-(6-methoxypyrimidin-4-yl)methanone (CID 102949892) is (5-fluoro-2-methylphenyl)-(6-methoxypyrimidin-4-yl)methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(6-methoxypyrimidin-4-yl)methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(6-methoxypyrimidin-4-yl)methanone is COc1cc(C(=O)c2cc(F)ccc2C)ncn1.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(6-methoxypyrimidin-4-yl)methanone?
The InChIKey is NKRJDPJYNVOKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-8-3-4-9(14)5-10(8)13(17)11-6-12(18-2)16-7-15-11/h3-7H,1-2H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(6-methoxypyrimidin-4-yl)methanone?
(5-fluoro-2-methylphenyl)-(6-methoxypyrimidin-4-yl)methanone has a molecular weight of 246.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(6-methoxypyrimidin-4-yl)methanone is sourced from PubChem (CID 102949892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).