1-[4-(2-methylpyrimidin-5-yl)phenyl]ethanone

C13H12N2O — CID 105465962

IUPAC1-[4-(2-methylpyrimidin-5-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cnc(C)nc2)cc1
InChIInChI=1S/C13H12N2O/c1-9(16)11-3-5-12(6-4-11)13-7-14-10(2)15-8-13/h3-8H,1-2H3
InChIKeyZPSIYEXDISZKTG-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.65
Rot. Bonds2

About 1-[4-(2-methylpyrimidin-5-yl)phenyl]ethanone

1-[4-(2-methylpyrimidin-5-yl)phenyl]ethanone (PubChem CID 105465962) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[4-(2-methylpyrimidin-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methylpyrimidin-5-yl)phenyl]ethanone
PubChem CID105465962
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name1-[4-(2-methylpyrimidin-5-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cnc(C)nc2)cc1
InChIInChI=1S/C13H12N2O/c1-9(16)11-3-5-12(6-4-11)13-7-14-10(2)15-8-13/h3-8H,1-2H3
InChIKeyZPSIYEXDISZKTG-UHFFFAOYSA-N
XLogP2.65
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpyrimidin-5-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(2-methylpyrimidin-5-yl)phenyl]ethanone (CID 105465962) is 1-[4-(2-methylpyrimidin-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-methylpyrimidin-5-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-methylpyrimidin-5-yl)phenyl]ethanone is CC(=O)c1ccc(-c2cnc(C)nc2)cc1.
What is the InChIKey of 1-[4-(2-methylpyrimidin-5-yl)phenyl]ethanone?
The InChIKey is ZPSIYEXDISZKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-9(16)11-3-5-12(6-4-11)13-7-14-10(2)15-8-13/h3-8H,1-2H3.
What are the key properties of 1-[4-(2-methylpyrimidin-5-yl)phenyl]ethanone?
1-[4-(2-methylpyrimidin-5-yl)phenyl]ethanone has a molecular weight of 212.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpyrimidin-5-yl)phenyl]ethanone is sourced from PubChem (CID 105465962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).