2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone

C11H12N4O — CID 115529672

IUPAC2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone
SMILESCc1nccc(C(=O)Cc2nccn2C)n1
InChIInChI=1S/C11H12N4O/c1-8-12-4-3-9(14-8)10(16)7-11-13-5-6-15(11)2/h3-6H,7H2,1-2H3
InChIKeyNNKCTMOPKGQPII-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.94
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone

2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone (PubChem CID 115529672) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone
PubChem CID115529672
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone
SMILESCc1nccc(C(=O)Cc2nccn2C)n1
InChIInChI=1S/C11H12N4O/c1-8-12-4-3-9(14-8)10(16)7-11-13-5-6-15(11)2/h3-6H,7H2,1-2H3
InChIKeyNNKCTMOPKGQPII-UHFFFAOYSA-N
XLogP0.94
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone
CID 112731558
1-(2-methylpyrimidin-4-yl)butan-1-one
CID 23333315
2-(1-methylimidazol-2-yl)-1-pyridazin-4-ylethanone
CID 105116274
1-(2-methylpyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 115529731
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 113329351
2-(1-methylimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 12049984
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116318
1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784443
1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784448
2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone
CID 105116313
2-(5-bromo-2-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 104799331
1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784458

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone (CID 115529672) is 2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone is Cc1nccc(C(=O)Cc2nccn2C)n1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone?
The InChIKey is NNKCTMOPKGQPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-12-4-3-9(14-8)10(16)7-11-13-5-6-15(11)2/h3-6H,7H2,1-2H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone?
2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone has a molecular weight of 216.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone is sourced from PubChem (CID 115529672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).