5-bromo-6-chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one

C12H16BrClN2O — CID 114583370

IUPAC5-bromo-6-chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one
SMILESCCC1CCC(n2cnc(Cl)c(Br)c2=O)CC1
InChIInChI=1S/C12H16BrClN2O/c1-2-8-3-5-9(6-4-8)16-7-15-11(14)10(13)12(16)17/h7-9H,2-6H2,1H3
InChIKeyIMTLJPMXMGOHIF-UHFFFAOYSA-N
MW319.63 g/mol
LogP3.80
Rot. Bonds2

About 5-bromo-6-chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one

5-bromo-6-chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one (PubChem CID 114583370) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one
PubChem CID114583370
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name5-bromo-6-chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one
SMILESCCC1CCC(n2cnc(Cl)c(Br)c2=O)CC1
InChIInChI=1S/C12H16BrClN2O/c1-2-8-3-5-9(6-4-8)16-7-15-11(14)10(13)12(16)17/h7-9H,2-6H2,1H3
InChIKeyIMTLJPMXMGOHIF-UHFFFAOYSA-N
XLogP3.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-6-chloro-3-[(3,3-difluorocyclohexyl)methyl]pyrimidin-4-one
CID 114224998
6-Chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one
CID 114582031
6-Chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one
CID 114582076
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-(4-ethylcyclohexyl)pyrimidin-4-one
CID 114582514
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-(4-methylcyclohexyl)pyrimidin-4-one
CID 114583159
5,6-Dichloro-3-(3-ethylcyclohexyl)pyrimidin-4-one
CID 114583160
5,6-Dichloro-3-(3,4-dimethylcyclohexyl)pyrimidin-4-one
CID 114583199

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one (CID 114583370) is 5-bromo-6-chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one is CCC1CCC(n2cnc(Cl)c(Br)c2=O)CC1.
What is the InChIKey of 5-bromo-6-chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one?
The InChIKey is IMTLJPMXMGOHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-2-8-3-5-9(6-4-8)16-7-15-11(14)10(13)12(16)17/h7-9H,2-6H2,1H3.
What are the key properties of 5-bromo-6-chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one?
5-bromo-6-chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one has a molecular weight of 319.63 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one is sourced from PubChem (CID 114583370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).