6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine

C13H20BrN3 — CID 104963516

IUPAC6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
SMILESCCc1nc(Br)cc(NC2CCC(C)CC2)n1
InChIInChI=1S/C13H20BrN3/c1-3-12-16-11(14)8-13(17-12)15-10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyXRYOTTUGTMLXEG-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.79
Rot. Bonds3

About 6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine

6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine (PubChem CID 104963516) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
PubChem CID104963516
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
SMILESCCc1nc(Br)cc(NC2CCC(C)CC2)n1
InChIInChI=1S/C13H20BrN3/c1-3-12-16-11(14)8-13(17-12)15-10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyXRYOTTUGTMLXEG-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-ethyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414820
[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 106364093
[2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106364158
4-N-cyclobutyl-2-ethylpyrimidine-4,6-diamine
CID 80934753
4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933432
4-N-(3,4-dimethylcyclohexyl)-2-ethylpyrimidine-4,6-diamine
CID 80941485
4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80940937
2-ethyl-6-methyl-N-piperidin-4-ylpyrimidin-4-amine
CID 94075343
2-ethyl-6-N-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80933209
2-cyclopropyl-6-N-ethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80968126
6-bromo-2-ethyl-N-(2-fluoroethyl)pyrimidin-4-amine
CID 126976268

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine (CID 104963516) is 6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine is CCc1nc(Br)cc(NC2CCC(C)CC2)n1.
What is the InChIKey of 6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
The InChIKey is XRYOTTUGTMLXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-3-12-16-11(14)8-13(17-12)15-10-6-4-9(2)5-7-10/h8-10H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine?
6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine has a molecular weight of 298.23 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 104963516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).