6-chloro-3-cyclohexylpyrimidin-4-one

C10H13ClN2O — CID 114582037

IUPAC6-chloro-3-cyclohexylpyrimidin-4-one
SMILESO=c1cc(Cl)ncn1C1CCCCC1
InChIInChI=1S/C10H13ClN2O/c11-9-6-10(14)13(7-12-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyBGGALAMJJBGRDT-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.40
Rot. Bonds1

About 6-chloro-3-cyclohexylpyrimidin-4-one

6-chloro-3-cyclohexylpyrimidin-4-one (PubChem CID 114582037) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 6-chloro-3-cyclohexylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-cyclohexylpyrimidin-4-one
PubChem CID114582037
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name6-chloro-3-cyclohexylpyrimidin-4-one
SMILESO=c1cc(Cl)ncn1C1CCCCC1
InChIInChI=1S/C10H13ClN2O/c11-9-6-10(14)13(7-12-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyBGGALAMJJBGRDT-UHFFFAOYSA-N
XLogP2.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyclohexyl-3,4-dihydropyrimidin-4-one
CID 58589517
6-Chloro-3-hept-6-enylpyrimidin-4-one
CID 107010009
6-Chloro-2-methyl-3-pentan-2-ylpyrimidin-4-one
CID 107885721
6-Chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885723
6-Chloro-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913293
6-Chloro-3-cyclohexyl-2-methylpyrimidin-4-one
CID 114581610
6-Chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one
CID 114582031
6-Chloro-3-pentylpyrimidin-4-one
CID 114582032
6-Chloro-3-octylpyrimidin-4-one
CID 114582033
5-(4-Chloro-6-oxopyrimidin-1-yl)pentanenitrile
CID 114582048
6-Chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one
CID 114582076
6-Chloro-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582110

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclohexylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-cyclohexylpyrimidin-4-one (CID 114582037) is 6-chloro-3-cyclohexylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-cyclohexylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-cyclohexylpyrimidin-4-one is O=c1cc(Cl)ncn1C1CCCCC1.
What is the InChIKey of 6-chloro-3-cyclohexylpyrimidin-4-one?
The InChIKey is BGGALAMJJBGRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-9-6-10(14)13(7-12-9)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 6-chloro-3-cyclohexylpyrimidin-4-one?
6-chloro-3-cyclohexylpyrimidin-4-one has a molecular weight of 212.68 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclohexylpyrimidin-4-one is sourced from PubChem (CID 114582037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).