5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine

C15H24BrN3O — CID 116777283

IUPAC5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCOC1(c2nc(N)c(Br)c(CC(C)C)n2)CCCCC1
InChIInChI=1S/C15H24BrN3O/c1-10(2)9-11-12(16)13(17)19-14(18-11)15(20-3)7-5-4-6-8-15/h10H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyXGPZYKYXDZCAFC-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.83
Rot. Bonds4

About 5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine

5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 116777283) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID116777283
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCOC1(c2nc(N)c(Br)c(CC(C)C)n2)CCCCC1
InChIInChI=1S/C15H24BrN3O/c1-10(2)9-11-12(16)13(17)19-14(18-11)15(20-3)7-5-4-6-8-15/h10H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyXGPZYKYXDZCAFC-UHFFFAOYSA-N
XLogP3.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776459
6-ethyl-2-(1-methoxycyclohexyl)-5-methylpyrimidin-4-amine
CID 116776328
5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777303
[2-(1-methoxycyclopentyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine
CID 113432905
5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine
CID 116746046
5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine
CID 104611748
5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 116776851
[2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362057
2-(1-methoxycycloheptyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116775684
2-(1-methoxycycloheptyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 116776251
2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine
CID 116775665
1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 116781414

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine (CID 116777283) is 5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine is COC1(c2nc(N)c(Br)c(CC(C)C)n2)CCCCC1.
What is the InChIKey of 5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is XGPZYKYXDZCAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-10(2)9-11-12(16)13(17)19-14(18-11)15(20-3)7-5-4-6-8-15/h10H,4-9H2,1-3H3,(H2,17,18,19).
What are the key properties of 5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine?
5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 342.28 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 116777283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).