6-chloro-3-(3,5-dimethylcyclohexyl)-2-methylpyrimidin-4-one

C13H19ClN2O — CID 114581699

IUPAC6-chloro-3-(3,5-dimethylcyclohexyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1C1CC(C)CC(C)C1
InChIInChI=1S/C13H19ClN2O/c1-8-4-9(2)6-11(5-8)16-10(3)15-12(14)7-13(16)17/h7-9,11H,4-6H2,1-3H3
InChIKeyMHBHXWASJJFYAW-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.20
Rot. Bonds1

About 6-chloro-3-(3,5-dimethylcyclohexyl)-2-methylpyrimidin-4-one

6-chloro-3-(3,5-dimethylcyclohexyl)-2-methylpyrimidin-4-one (PubChem CID 114581699) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 6-chloro-3-(3,5-dimethylcyclohexyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3,5-dimethylcyclohexyl)-2-methylpyrimidin-4-one
PubChem CID114581699
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name6-chloro-3-(3,5-dimethylcyclohexyl)-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1C1CC(C)CC(C)C1
InChIInChI=1S/C13H19ClN2O/c1-8-4-9(2)6-11(5-8)16-10(3)15-12(14)7-13(16)17/h7-9,11H,4-6H2,1-3H3
InChIKeyMHBHXWASJJFYAW-UHFFFAOYSA-N
XLogP3.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-3-[(3,3-difluorocyclohexyl)methyl]-2-methylpyrimidin-4-one
CID 114224996
2-Cyclohexyl-6-hydroxy-3-pentan-3-ylpyrimidin-4-one
CID 136364427
6-Chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 107913299
6-Chloro-2-ethyl-3-(2-ethylhexyl)pyrimidin-4-one
CID 113604509
6-Chloro-3-(cyclohexylmethyl)-2-cyclopropylpyrimidin-4-one
CID 113604577
6-Chloro-3-(cyclohexylmethyl)-2-propan-2-ylpyrimidin-4-one
CID 113604628
6-Chloro-3-(2-cyclohexylethyl)-2-cyclopropylpyrimidin-4-one
CID 114192360
6-Chloro-3-(2-ethylcyclohexyl)-2-methylpyrimidin-4-one
CID 114581603
6-Chloro-3-cyclohexyl-2-methylpyrimidin-4-one
CID 114581610
6-Chloro-3-(4-ethylcyclohexyl)-2-methylpyrimidin-4-one
CID 114581649
6-Chloro-2-methyl-3-(2-methylpentyl)pyrimidin-4-one
CID 114581676
6-Chloro-2-methyl-3-(4-methylpentyl)pyrimidin-4-one
CID 114581709

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,5-dimethylcyclohexyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3,5-dimethylcyclohexyl)-2-methylpyrimidin-4-one (CID 114581699) is 6-chloro-3-(3,5-dimethylcyclohexyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3,5-dimethylcyclohexyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3,5-dimethylcyclohexyl)-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1C1CC(C)CC(C)C1.
What is the InChIKey of 6-chloro-3-(3,5-dimethylcyclohexyl)-2-methylpyrimidin-4-one?
The InChIKey is MHBHXWASJJFYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-8-4-9(2)6-11(5-8)16-10(3)15-12(14)7-13(16)17/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 6-chloro-3-(3,5-dimethylcyclohexyl)-2-methylpyrimidin-4-one?
6-chloro-3-(3,5-dimethylcyclohexyl)-2-methylpyrimidin-4-one has a molecular weight of 254.76 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,5-dimethylcyclohexyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).