2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one

C12H15ClN4O — CID 136932085

IUPAC2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCC(C)Cc1cc(=O)[nH]c(-c2ncc(Cl)n2C)n1
InChIInChI=1S/C12H15ClN4O/c1-7(2)4-8-5-10(18)16-11(15-8)12-14-6-9(13)17(12)3/h5-7H,4H2,1-3H3,(H,15,16,18)
InChIKeyNCJAITNDZLBFSW-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.02
Rot. Bonds3

About 2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one

2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 136932085) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID136932085
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCC(C)Cc1cc(=O)[nH]c(-c2ncc(Cl)n2C)n1
InChIInChI=1S/C12H15ClN4O/c1-7(2)4-8-5-10(18)16-11(15-8)12-14-6-9(13)17(12)3/h5-7H,4H2,1-3H3,(H,15,16,18)
InChIKeyNCJAITNDZLBFSW-UHFFFAOYSA-N
XLogP2.02
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136877750
4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136677185
2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136930699
2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136932082
2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136873196
2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136701879
4-methyl-7-(2-methylpropyl)-1H-1,8-naphthyridin-2-one
CID 165472389
4-(chloromethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one
CID 136713380
2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136997880
2-[2-[[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenyl]-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 135966376
2-(4,5-dibromothiophen-2-yl)-4-ethyl-1H-pyrimidin-6-one
CID 136683043
4-chloro-6-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)pyrimidine
CID 81313415

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one (CID 136932085) is 2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one is CC(C)Cc1cc(=O)[nH]c(-c2ncc(Cl)n2C)n1.
What is the InChIKey of 2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is NCJAITNDZLBFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-7(2)4-8-5-10(18)16-11(15-8)12-14-6-9(13)17(12)3/h5-7H,4H2,1-3H3,(H,15,16,18).
What are the key properties of 2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 266.73 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136932085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).