5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine

C15H24BrN3 — CID 66306252

IUPAC5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine
SMILESCc1nc(C2CCC(C(C)(C)C)CC2)nc(N)c1Br
InChIInChI=1S/C15H24BrN3/c1-9-12(16)13(17)19-14(18-9)10-5-7-11(8-6-10)15(2,3)4/h10-11H,5-8H2,1-4H3,(H2,17,18,19)
InChIKeyACQYJOGUGPLECG-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.45
Rot. Bonds1

About 5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine

5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine (PubChem CID 66306252) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine
PubChem CID66306252
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine
SMILESCc1nc(C2CCC(C(C)(C)C)CC2)nc(N)c1Br
InChIInChI=1S/C15H24BrN3/c1-9-12(16)13(17)19-14(18-9)10-5-7-11(8-6-10)15(2,3)4/h10-11H,5-8H2,1-4H3,(H2,17,18,19)
InChIKeyACQYJOGUGPLECG-UHFFFAOYSA-N
XLogP4.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine
CID 65415438
5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine
CID 66293950
5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 66298196
2-cyclopropyl-5-iodo-6-methylpyrimidin-4-amine
CID 66307285
5-bromo-2-(2,2-dimethylcyclopropyl)-6-methylpyrimidin-4-amine
CID 107925692
5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine
CID 66307600
[2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine
CID 65414644
5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine
CID 104605414
5-bromo-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 66298717
5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 65401369
5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine
CID 66293541
5-bromo-2-cyclohexyl-6-propan-2-ylpyrimidin-4-amine
CID 66300489

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine (CID 66306252) is 5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine is Cc1nc(C2CCC(C(C)(C)C)CC2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine?
The InChIKey is ACQYJOGUGPLECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-9-12(16)13(17)19-14(18-9)10-5-7-11(8-6-10)15(2,3)4/h10-11H,5-8H2,1-4H3,(H2,17,18,19).
What are the key properties of 5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine?
5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine has a molecular weight of 326.28 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66306252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).