5-bromo-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine

C16H26BrN3 — CID 66298717

IUPAC5-bromo-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
SMILESCC(C)c1nc(C2CCC(C(C)C)CC2)nc(N)c1Br
InChIInChI=1S/C16H26BrN3/c1-9(2)11-5-7-12(8-6-11)16-19-14(10(3)4)13(17)15(18)20-16/h9-12H,5-8H2,1-4H3,(H2,18,19,20)
InChIKeyITCOLNNXODZRTQ-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.87
Rot. Bonds3

About 5-bromo-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine

5-bromo-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine (PubChem CID 66298717) has the molecular formula C16H26BrN3 and a molecular weight of 340.31 g/mol. Its IUPAC name is 5-bromo-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
PubChem CID66298717
Molecular FormulaC16H26BrN3
Molecular Weight340.31 g/mol
Exact Mass339.13
IUPAC Name5-bromo-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
SMILESCC(C)c1nc(C2CCC(C(C)C)CC2)nc(N)c1Br
InChIInChI=1S/C16H26BrN3/c1-9(2)11-5-7-12(8-6-11)16-19-14(10(3)4)13(17)15(18)20-16/h9-12H,5-8H2,1-4H3,(H2,18,19,20)
InChIKeyITCOLNNXODZRTQ-UHFFFAOYSA-N
XLogP4.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-cyclohexyl-6-propan-2-ylpyrimidin-4-amine
CID 66300489
5-bromo-2-(3-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 66301275
5,6-dimethyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 65401369
6-ethyl-5-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 65402392
4-cyclopentyl-6-(4-propan-2-ylcyclohexyl)-1,3,5-triazin-2-amine
CID 65401606
5-iodo-N-methyl-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 66300334
5-bromo-4-chloro-2-cyclooctyl-6-propan-2-ylpyrimidine
CID 80603976
5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299922
5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66300892
6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 65400159
5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine
CID 66306252
5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 66300703

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine (CID 66298717) is 5-bromo-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine is CC(C)c1nc(C2CCC(C(C)C)CC2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine?
The InChIKey is ITCOLNNXODZRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3/c1-9(2)11-5-7-12(8-6-11)16-19-14(10(3)4)13(17)15(18)20-16/h9-12H,5-8H2,1-4H3,(H2,18,19,20).
What are the key properties of 5-bromo-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine?
5-bromo-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine has a molecular weight of 340.31 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 66298717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).