5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine

C17H28BrN3 — CID 66300704

IUPAC5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C2CCC(C)(C)CC2)nc(C(C)C)c1Br
InChIInChI=1S/C17H28BrN3/c1-6-19-16-13(18)14(11(2)3)20-15(21-16)12-7-9-17(4,5)10-8-12/h11-12H,6-10H2,1-5H3,(H,19,20,21)
InChIKeyVXWVQRAETLYXOP-UHFFFAOYSA-N
MW354.34 g/mol
LogP5.48
Rot. Bonds4

About 5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66300704) has the molecular formula C17H28BrN3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID66300704
Molecular FormulaC17H28BrN3
Molecular Weight354.34 g/mol
Exact Mass353.15
IUPAC Name5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C2CCC(C)(C)CC2)nc(C(C)C)c1Br
InChIInChI=1S/C17H28BrN3/c1-6-19-16-13(18)14(11(2)3)20-15(21-16)12-7-9-17(4,5)10-8-12/h11-12H,6-10H2,1-5H3,(H,19,20,21)
InChIKeyVXWVQRAETLYXOP-UHFFFAOYSA-N
XLogP5.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.34
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 66300703
5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299922
2-(4,4-dimethylcyclohexyl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 65390273
5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66300892
2-cycloheptyl-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66301128
5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine
CID 66300310
5-bromo-2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80611219
5-bromo-2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
CID 80610588
5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 107925754
5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine
CID 66306278
2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 107925723
2-cyclopropyl-6-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80984725

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine (CID 66300704) is 5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine is CCNc1nc(C2CCC(C)(C)CC2)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is VXWVQRAETLYXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN3/c1-6-19-16-13(18)14(11(2)3)20-15(21-16)12-7-9-17(4,5)10-8-12/h11-12H,6-10H2,1-5H3,(H,19,20,21).
What are the key properties of 5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 354.34 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).