5-bromo-6-chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one

C12H16BrClN2O — CID 114583325

IUPAC5-bromo-6-chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one
SMILESCCC1CCCCC1n1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C12H16BrClN2O/c1-2-8-5-3-4-6-9(8)16-7-15-11(14)10(13)12(16)17/h7-9H,2-6H2,1H3
InChIKeyAUPFRQJPGSBSNC-UHFFFAOYSA-N
MW319.63 g/mol
LogP3.80
Rot. Bonds2

About 5-bromo-6-chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one

5-bromo-6-chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one (PubChem CID 114583325) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one
PubChem CID114583325
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name5-bromo-6-chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one
SMILESCCC1CCCCC1n1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C12H16BrClN2O/c1-2-8-5-3-4-6-9(8)16-7-15-11(14)10(13)12(16)17/h7-9H,2-6H2,1H3
InChIKeyAUPFRQJPGSBSNC-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-(3-ethylcyclohexyl)pyrimidin-4-one
CID 114582298
5-Amino-6-chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one
CID 114582470
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-ethylcyclohexyl)pyrimidin-4-one
CID 114583160
5-Bromo-6-chloro-3-octylpyrimidin-4-one
CID 114583327
5-Bromo-6-chloro-3-cyclohexylpyrimidin-4-one
CID 114583332
5-Bromo-6-chloro-3-(4-ethylcyclohexyl)pyrimidin-4-one
CID 114583370
5-Bromo-6-chloro-3-(2-methylpentyl)pyrimidin-4-one
CID 114583399

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one (CID 114583325) is 5-bromo-6-chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one is CCC1CCCCC1n1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 5-bromo-6-chloro-3-(2-ethylcyclohexyl)pyrimidin-4-one?
The InChIKey is AUPFRQJPGSBSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-2-8-5-3-4-6-9(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-(2-ethylcyclohexyl)pyrimidin-4-one?
5-bromo-6-chloro-3-(2-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-(2-ethylcyclohexyl)pyrimidin-4-one is sourced from PubChem (CID 114583325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).