5,6-dichloro-3-(3,4-dimethylcyclohexyl)pyrimidin-4-one

C12H16Cl2N2O — CID 114583199

IUPAC5,6-dichloro-3-(3,4-dimethylcyclohexyl)pyrimidin-4-one
SMILESCC1CCC(n2cnc(Cl)c(Cl)c2=O)CC1C
InChIInChI=1S/C12H16Cl2N2O/c1-7-3-4-9(5-8(7)2)16-6-15-11(14)10(13)12(16)17/h6-9H,3-5H2,1-2H3
InChIKeyIFRNMSAMVLCUCP-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.55
Rot. Bonds1

About 5,6-dichloro-3-(3,4-dimethylcyclohexyl)pyrimidin-4-one

5,6-dichloro-3-(3,4-dimethylcyclohexyl)pyrimidin-4-one (PubChem CID 114583199) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 5,6-dichloro-3-(3,4-dimethylcyclohexyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(3,4-dimethylcyclohexyl)pyrimidin-4-one
PubChem CID114583199
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name5,6-dichloro-3-(3,4-dimethylcyclohexyl)pyrimidin-4-one
SMILESCC1CCC(n2cnc(Cl)c(Cl)c2=O)CC1C
InChIInChI=1S/C12H16Cl2N2O/c1-7-3-4-9(5-8(7)2)16-6-15-11(14)10(13)12(16)17/h6-9H,3-5H2,1-2H3
InChIKeyIFRNMSAMVLCUCP-UHFFFAOYSA-N
XLogP3.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-3-(3,4-dimethylcyclohexyl)-2-methylpyrimidin-4-one
CID 114581901
6-Chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one
CID 114582031
6-Chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one
CID 114582076
6-Chloro-3-(3-methylcyclohexyl)pyrimidin-4-one
CID 114582230
6-Chloro-3-(4-methylcyclohexyl)pyrimidin-4-one
CID 114582297
6-Chloro-3-(3-ethylcyclohexyl)pyrimidin-4-one
CID 114582298
6-Chloro-3-(3,4-dimethylcyclohexyl)pyrimidin-4-one
CID 114582341
5-Amino-6-chloro-3-(3,4-dimethylcyclohexyl)pyrimidin-4-one
CID 114582772
5,6-Dichloro-3-(2-ethylcyclohexyl)pyrimidin-4-one
CID 114582899
5,6-Dichloro-3-(4-ethylcyclohexyl)pyrimidin-4-one
CID 114582942
5,6-Dichloro-3-(3,5-dimethylcyclohexyl)pyrimidin-4-one
CID 114582994
5,6-Dichloro-3-(3-methylcyclohexyl)pyrimidin-4-one
CID 114583097

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(3,4-dimethylcyclohexyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(3,4-dimethylcyclohexyl)pyrimidin-4-one (CID 114583199) is 5,6-dichloro-3-(3,4-dimethylcyclohexyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(3,4-dimethylcyclohexyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(3,4-dimethylcyclohexyl)pyrimidin-4-one is CC1CCC(n2cnc(Cl)c(Cl)c2=O)CC1C.
What is the InChIKey of 5,6-dichloro-3-(3,4-dimethylcyclohexyl)pyrimidin-4-one?
The InChIKey is IFRNMSAMVLCUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-7-3-4-9(5-8(7)2)16-6-15-11(14)10(13)12(16)17/h6-9H,3-5H2,1-2H3.
What are the key properties of 5,6-dichloro-3-(3,4-dimethylcyclohexyl)pyrimidin-4-one?
5,6-dichloro-3-(3,4-dimethylcyclohexyl)pyrimidin-4-one has a molecular weight of 275.18 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(3,4-dimethylcyclohexyl)pyrimidin-4-one is sourced from PubChem (CID 114583199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).