1-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone

C13H12N2O — CID 84782300

IUPAC1-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2ccccc2C)nc1
InChIInChI=1S/C13H12N2O/c1-9-5-3-4-6-12(9)13-14-7-11(8-15-13)10(2)16/h3-8H,1-2H3
InChIKeyZZKBOJHXTDMLLY-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.65
Rot. Bonds2

About 1-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone

1-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone (PubChem CID 84782300) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone
PubChem CID84782300
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name1-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2ccccc2C)nc1
InChIInChI=1S/C13H12N2O/c1-9-5-3-4-6-12(9)13-14-7-11(8-15-13)10(2)16/h3-8H,1-2H3
InChIKeyZZKBOJHXTDMLLY-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-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone (CID 84782300) is 1-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone is CC(=O)c1cnc(-c2ccccc2C)nc1.
What is the InChIKey of 1-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone?
The InChIKey is ZZKBOJHXTDMLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-9-5-3-4-6-12(9)13-14-7-11(8-15-13)10(2)16/h3-8H,1-2H3.
What are the key properties of 1-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone?
1-[2-(2-methylphenyl)pyrimidin-5-yl]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-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone is sourced from PubChem (CID 84782300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).