5-bromo-4-tert-butyl-6-chloro-2-(4,4-dimethylcyclohexyl)pyrimidine

C16H24BrClN2 — CID 66293175

IUPAC5-bromo-4-tert-butyl-6-chloro-2-(4,4-dimethylcyclohexyl)pyrimidine
SMILESCC1(C)CCC(c2nc(Cl)c(Br)c(C(C)(C)C)n2)CC1
InChIInChI=1S/C16H24BrClN2/c1-15(2,3)12-11(17)13(18)20-14(19-12)10-6-8-16(4,5)9-7-10/h10H,6-9H2,1-5H3
InChIKeyOYOJYRMWDZICMI-UHFFFAOYSA-N
MW359.74 g/mol
LogP5.87
Rot. Bonds1

About 5-bromo-4-tert-butyl-6-chloro-2-(4,4-dimethylcyclohexyl)pyrimidine

5-bromo-4-tert-butyl-6-chloro-2-(4,4-dimethylcyclohexyl)pyrimidine (PubChem CID 66293175) 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-(4,4-dimethylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-tert-butyl-6-chloro-2-(4,4-dimethylcyclohexyl)pyrimidine
PubChem CID66293175
Molecular FormulaC16H24BrClN2
Molecular Weight359.74 g/mol
Exact Mass358.08
IUPAC Name5-bromo-4-tert-butyl-6-chloro-2-(4,4-dimethylcyclohexyl)pyrimidine
SMILESCC1(C)CCC(c2nc(Cl)c(Br)c(C(C)(C)C)n2)CC1
InChIInChI=1S/C16H24BrClN2/c1-15(2,3)12-11(17)13(18)20-14(19-12)10-6-8-16(4,5)9-7-10/h10H,6-9H2,1-5H3
InChIKeyOYOJYRMWDZICMI-UHFFFAOYSA-N
XLogP5.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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-tert-butyl-6-chloro-2-(oxan-4-yl)pyrimidine
CID 66291956
5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine
CID 66294812
6-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-iodopyrimidin-4-amine
CID 66307233
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-4,6-dichloro-2-cyclohexylpyrimidine
CID 66317033
5-bromo-4,6-dichloro-2-cyclooctylpyrimidine
CID 80602161
5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine
CID 66293950
4-chloro-2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 65391574
5-bromo-4,6-dichloro-2-(2,2-dimethylcyclopropyl)pyrimidine
CID 107925418
5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine
CID 66293970
5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine
CID 66293541

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(4,4-dimethylcyclohexyl)pyrimidine?
The IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-(4,4-dimethylcyclohexyl)pyrimidine (CID 66293175) is 5-bromo-4-tert-butyl-6-chloro-2-(4,4-dimethylcyclohexyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-tert-butyl-6-chloro-2-(4,4-dimethylcyclohexyl)pyrimidine?
The canonical SMILES for 5-bromo-4-tert-butyl-6-chloro-2-(4,4-dimethylcyclohexyl)pyrimidine is CC1(C)CCC(c2nc(Cl)c(Br)c(C(C)(C)C)n2)CC1.
What is the InChIKey of 5-bromo-4-tert-butyl-6-chloro-2-(4,4-dimethylcyclohexyl)pyrimidine?
The InChIKey is OYOJYRMWDZICMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClN2/c1-15(2,3)12-11(17)13(18)20-14(19-12)10-6-8-16(4,5)9-7-10/h10H,6-9H2,1-5H3.
What are the key properties of 5-bromo-4-tert-butyl-6-chloro-2-(4,4-dimethylcyclohexyl)pyrimidine?
5-bromo-4-tert-butyl-6-chloro-2-(4,4-dimethylcyclohexyl)pyrimidine has a molecular weight of 359.74 g/mol, XLogP of 5.87, 1 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-(4,4-dimethylcyclohexyl)pyrimidine is sourced from PubChem (CID 66293175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).