1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone

C12H11N3O — CID 62771013

IUPAC1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1cnc(-c2ccccn2)nc1C
InChIInChI=1S/C12H11N3O/c1-8-10(9(2)16)7-14-12(15-8)11-5-3-4-6-13-11/h3-7H,1-2H3
InChIKeyZJOGSKREYIFGQR-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.05
Rot. Bonds2

About 1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone

1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone (PubChem CID 62771013) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone
PubChem CID62771013
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1cnc(-c2ccccn2)nc1C
InChIInChI=1S/C12H11N3O/c1-8-10(9(2)16)7-14-12(15-8)11-5-3-4-6-13-11/h3-7H,1-2H3
InChIKeyZJOGSKREYIFGQR-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-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 28811995
1-(4-methyl-2-thiophen-2-ylpyrimidin-5-yl)ethanone
CID 15314346
4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 83567425
1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethanone
CID 82376283
2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 24903633
1-[4-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone
CID 62771012
N-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 59199955
5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid
CID 82168679
1-(2-iodo-4-methylpyrimidin-5-yl)ethanone
CID 133054602
1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone
CID 62771715
5-(3,4-dimethylphenyl)-4-methyl-2-pyridin-2-ylpyrimidine;ethane
CID 158879641
propan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone
CID 142200499

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone?
The IUPAC name of 1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone (CID 62771013) is 1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone is CC(=O)c1cnc(-c2ccccn2)nc1C.
What is the InChIKey of 1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone?
The InChIKey is ZJOGSKREYIFGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-8-10(9(2)16)7-14-12(15-8)11-5-3-4-6-13-11/h3-7H,1-2H3.
What are the key properties of 1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone?
1-(4-methyl-2-pyridin-2-ylpyrimidin-5-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-2-pyridin-2-ylpyrimidin-5-yl)ethanone is sourced from PubChem (CID 62771013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).