6-chloro-3-(4-ethylcyclohexyl)-2-methylpyrimidin-4-one

C13H19ClN2O — CID 114581649

IUPAC6-chloro-3-(4-ethylcyclohexyl)-2-methylpyrimidin-4-one
SMILESCCC1CCC(n2c(C)nc(Cl)cc2=O)CC1
InChIInChI=1S/C13H19ClN2O/c1-3-10-4-6-11(7-5-10)16-9(2)15-12(14)8-13(16)17/h8,10-11H,3-7H2,1-2H3
InChIKeyLMBYUGRTVSIZGB-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.35
Rot. Bonds2

About 6-chloro-3-(4-ethylcyclohexyl)-2-methylpyrimidin-4-one

6-chloro-3-(4-ethylcyclohexyl)-2-methylpyrimidin-4-one (PubChem CID 114581649) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 6-chloro-3-(4-ethylcyclohexyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(4-ethylcyclohexyl)-2-methylpyrimidin-4-one
PubChem CID114581649
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name6-chloro-3-(4-ethylcyclohexyl)-2-methylpyrimidin-4-one
SMILESCCC1CCC(n2c(C)nc(Cl)cc2=O)CC1
InChIInChI=1S/C13H19ClN2O/c1-3-10-4-6-11(7-5-10)16-9(2)15-12(14)8-13(16)17/h8,10-11H,3-7H2,1-2H3
InChIKeyLMBYUGRTVSIZGB-UHFFFAOYSA-N
XLogP3.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.35
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-(Cyclohexylmethyl)-3-ethylpyrimidin-4-one
CID 59164977
2-Cyclohexyl-6-hydroxy-3-pentan-3-ylpyrimidin-4-one
CID 136364427
2-(Cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium
CID 142822927
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-octyl-2-propan-2-ylpyrimidin-4-one
CID 113604590
6-Chloro-3-heptyl-2-propan-2-ylpyrimidin-4-one
CID 113604609
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-(2,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one
CID 114201135

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-ethylcyclohexyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(4-ethylcyclohexyl)-2-methylpyrimidin-4-one (CID 114581649) is 6-chloro-3-(4-ethylcyclohexyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(4-ethylcyclohexyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(4-ethylcyclohexyl)-2-methylpyrimidin-4-one is CCC1CCC(n2c(C)nc(Cl)cc2=O)CC1.
What is the InChIKey of 6-chloro-3-(4-ethylcyclohexyl)-2-methylpyrimidin-4-one?
The InChIKey is LMBYUGRTVSIZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-10-4-6-11(7-5-10)16-9(2)15-12(14)8-13(16)17/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 6-chloro-3-(4-ethylcyclohexyl)-2-methylpyrimidin-4-one?
6-chloro-3-(4-ethylcyclohexyl)-2-methylpyrimidin-4-one has a molecular weight of 254.76 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-ethylcyclohexyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).