1-(4-benzoyl-6-methylpyrimidin-2-yl)ethanone

C14H12N2O2 — CID 15186733

IUPAC1-(4-benzoyl-6-methylpyrimidin-2-yl)ethanone
SMILESCC(=O)c1nc(C)cc(C(=O)c2ccccc2)n1
InChIInChI=1S/C14H12N2O2/c1-9-8-12(16-14(15-9)10(2)17)13(18)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyIWRYLGGLACVVSU-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.22
Rot. Bonds3

About 1-(4-benzoyl-6-methylpyrimidin-2-yl)ethanone

1-(4-benzoyl-6-methylpyrimidin-2-yl)ethanone (PubChem CID 15186733) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(4-benzoyl-6-methylpyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzoyl-6-methylpyrimidin-2-yl)ethanone
PubChem CID15186733
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1-(4-benzoyl-6-methylpyrimidin-2-yl)ethanone
SMILESCC(=O)c1nc(C)cc(C(=O)c2ccccc2)n1
InChIInChI=1S/C14H12N2O2/c1-9-8-12(16-14(15-9)10(2)17)13(18)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyIWRYLGGLACVVSU-UHFFFAOYSA-N
XLogP2.22
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
CID 58107081
CID 58107081
(6-chloro-2-methylsulfanylpyrimidin-4-yl)-phenylmethanone
CID 134202275
1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone
CID 170640785
acetic acid;diphenylmethanone;hydrate
CID 161284686
diphenylmethanone;ethane
CID 158014879
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
diphenylmethanone
CID 3102
(6-methyl-2-pyridinyl)-(4-phenylphenyl)methanone
CID 65453805
(2-methyl-4-pyridinyl)-phenylmethanone
CID 12913274
anthracene;diphenylmethanone
CID 87408663
(4,6-dimethylpyrimidin-2-yl) benzoate
CID 835169

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoyl-6-methylpyrimidin-2-yl)ethanone?
The IUPAC name of 1-(4-benzoyl-6-methylpyrimidin-2-yl)ethanone (CID 15186733) is 1-(4-benzoyl-6-methylpyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-(4-benzoyl-6-methylpyrimidin-2-yl)ethanone?
The canonical SMILES for 1-(4-benzoyl-6-methylpyrimidin-2-yl)ethanone is CC(=O)c1nc(C)cc(C(=O)c2ccccc2)n1.
What is the InChIKey of 1-(4-benzoyl-6-methylpyrimidin-2-yl)ethanone?
The InChIKey is IWRYLGGLACVVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-8-12(16-14(15-9)10(2)17)13(18)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 1-(4-benzoyl-6-methylpyrimidin-2-yl)ethanone?
1-(4-benzoyl-6-methylpyrimidin-2-yl)ethanone has a molecular weight of 240.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoyl-6-methylpyrimidin-2-yl)ethanone is sourced from PubChem (CID 15186733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).