6-chloro-3-cyclohexyl-2-methylpyrimidin-4-one

C11H15ClN2O — CID 114581610

IUPAC6-chloro-3-cyclohexyl-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1C1CCCCC1
InChIInChI=1S/C11H15ClN2O/c1-8-13-10(12)7-11(15)14(8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyNCHOLNLBUDMWGT-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.71
Rot. Bonds1

About 6-chloro-3-cyclohexyl-2-methylpyrimidin-4-one

6-chloro-3-cyclohexyl-2-methylpyrimidin-4-one (PubChem CID 114581610) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 6-chloro-3-cyclohexyl-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-cyclohexyl-2-methylpyrimidin-4-one
PubChem CID114581610
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name6-chloro-3-cyclohexyl-2-methylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1C1CCCCC1
InChIInChI=1S/C11H15ClN2O/c1-8-13-10(12)7-11(15)14(8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyNCHOLNLBUDMWGT-UHFFFAOYSA-N
XLogP2.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyclohexyl-2-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 162542096
6-Chloro-2,3-diethylpyrimidin-4-one
CID 114584343
3-Cyclohexyl-6-hydroxy-2-methyl-4(3h)-pyrimidinone
CID 136343049
3-Cyclohexyl-2-ethyl-6-hydroxypyrimidin-4-one
CID 136364378
3-Cyclohexyl-2-methylpyrimidin-4-one
CID 174577146
2-Chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83817408
2-chloro-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 83819077
2-Amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83875161
6-Chloro-3-hept-6-enyl-2-methylpyrimidin-4-one
CID 107010008
6-Chloro-2-methyl-3-pentan-2-ylpyrimidin-4-one
CID 107885721
6-Chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885723
6-Chloro-2-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913292

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclohexyl-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-cyclohexyl-2-methylpyrimidin-4-one (CID 114581610) is 6-chloro-3-cyclohexyl-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-cyclohexyl-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-cyclohexyl-2-methylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1C1CCCCC1.
What is the InChIKey of 6-chloro-3-cyclohexyl-2-methylpyrimidin-4-one?
The InChIKey is NCHOLNLBUDMWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8-13-10(12)7-11(15)14(8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 6-chloro-3-cyclohexyl-2-methylpyrimidin-4-one?
6-chloro-3-cyclohexyl-2-methylpyrimidin-4-one has a molecular weight of 226.71 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclohexyl-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).