5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine

C16H24BrClN2 — CID 66294812

IUPAC5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine
SMILESCCC1CCCC(c2nc(Cl)c(Br)c(C(C)(C)C)n2)C1
InChIInChI=1S/C16H24BrClN2/c1-5-10-7-6-8-11(9-10)15-19-13(16(2,3)4)12(17)14(18)20-15/h10-11H,5-9H2,1-4H3
InChIKeyKKWSXQLZQCAMRF-UHFFFAOYSA-N
MW359.74 g/mol
LogP5.87
Rot. Bonds2

About 5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine

5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine (PubChem CID 66294812) has the molecular formula C16H24BrClN2 and a molecular weight of 359.74 g/mol. Its IUPAC name is 5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine
PubChem CID66294812
Molecular FormulaC16H24BrClN2
Molecular Weight359.74 g/mol
Exact Mass358.08
IUPAC Name5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine
SMILESCCC1CCCC(c2nc(Cl)c(Br)c(C(C)(C)C)n2)C1
InChIInChI=1S/C16H24BrClN2/c1-5-10-7-6-8-11(9-10)15-19-13(16(2,3)4)12(17)14(18)20-15/h10-11H,5-9H2,1-4H3
InChIKeyKKWSXQLZQCAMRF-UHFFFAOYSA-N
XLogP5.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.74
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4,6-dichloro-2-(3-ethylcyclopentyl)pyrimidine
CID 66314551
5-bromo-4-tert-butyl-6-chloro-2-(oxan-4-yl)pyrimidine
CID 66291956
5-bromo-4-tert-butyl-6-chloro-2-(4,4-dimethylcyclohexyl)pyrimidine
CID 66293175
4-chloro-2-(3-ethylcyclohexyl)-5-iodo-6-propylpyrimidine
CID 66293573
5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine
CID 66307600
5-bromo-4-tert-butyl-6-chloro-2-(3-ethyl-1,4-dithian-2-yl)pyrimidine
CID 115385586
5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66307681
5-bromo-4-chloro-2-cyclobutyl-6-ethylpyrimidine
CID 66292583
5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine
CID 66294833
6-tert-butyl-N-ethyl-2-(3-ethylcyclopentyl)-5-iodopyrimidin-4-amine
CID 66300395
5-bromo-4,6-dichloro-2-cyclohexylpyrimidine
CID 66317033
5-bromo-4,6-dichloro-2-cyclooctylpyrimidine
CID 80602161

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine?
The IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine (CID 66294812) is 5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine?
The canonical SMILES for 5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine is CCC1CCCC(c2nc(Cl)c(Br)c(C(C)(C)C)n2)C1.
What is the InChIKey of 5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine?
The InChIKey is KKWSXQLZQCAMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClN2/c1-5-10-7-6-8-11(9-10)15-19-13(16(2,3)4)12(17)14(18)20-15/h10-11H,5-9H2,1-4H3.
What are the key properties of 5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine?
5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine has a molecular weight of 359.74 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine is sourced from PubChem (CID 66294812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).