1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone

C12H11N3O — CID 116895387

IUPAC1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone
SMILESCC(=O)c1nc(C)cc(-c2cccnc2)n1
InChIInChI=1S/C12H11N3O/c1-8-6-11(10-4-3-5-13-7-10)15-12(14-8)9(2)16/h3-7H,1-2H3
InChIKeyHGZWTGVATCGMTN-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.05
Rot. Bonds2

About 1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone

1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone (PubChem CID 116895387) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone
PubChem CID116895387
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone
SMILESCC(=O)c1nc(C)cc(-c2cccnc2)n1
InChIInChI=1S/C12H11N3O/c1-8-6-11(10-4-3-5-13-7-10)15-12(14-8)9(2)16/h3-7H,1-2H3
InChIKeyHGZWTGVATCGMTN-UHFFFAOYSA-N
XLogP2.05
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-phenylpyrimidine-2-carboxylic acid
CID 12846711
3-methyl-2-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)butan-1-ol
CID 116896453
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
1-(5-pyridin-3-yl-3-pyridinyl)ethanone
CID 20802831
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121360262
4-methyl-6-phenylpyrimidine-2-carboxamide
CID 12562158
2-methyl-3-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)propan-1-amine
CID 116893024
1-(2-methyl-4-pyridin-3-ylphenyl)ethanone
CID 20716212
[3-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)oxetan-3-yl]methanol
CID 116896302
ethane;2-methyl-6-pyridin-3-ylpyridine
CID 144687863
N-(2,4-dimethylphenyl)-4-methyl-6-pyridin-3-ylpyrimidin-2-amine
CID 46907134

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone?
The IUPAC name of 1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone (CID 116895387) is 1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone?
The canonical SMILES for 1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone is CC(=O)c1nc(C)cc(-c2cccnc2)n1.
What is the InChIKey of 1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone?
The InChIKey is HGZWTGVATCGMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-8-6-11(10-4-3-5-13-7-10)15-12(14-8)9(2)16/h3-7H,1-2H3.
What are the key properties of 1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone?
1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone has a molecular weight of 213.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone is sourced from PubChem (CID 116895387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).