5-bromo-6-(3,5-dimethylcyclohexyl)oxypyridin-3-amine

C13H19BrN2O — CID 79535668

IUPAC5-bromo-6-(3,5-dimethylcyclohexyl)oxypyridin-3-amine
SMILESCC1CC(C)CC(Oc2ncc(N)cc2Br)C1
InChIInChI=1S/C13H19BrN2O/c1-8-3-9(2)5-11(4-8)17-13-12(14)6-10(15)7-16-13/h6-9,11H,3-5,15H2,1-2H3
InChIKeyAEORGURVRWUXKS-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.63
Rot. Bonds2

About 5-bromo-6-(3,5-dimethylcyclohexyl)oxypyridin-3-amine

5-bromo-6-(3,5-dimethylcyclohexyl)oxypyridin-3-amine (PubChem CID 79535668) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-bromo-6-(3,5-dimethylcyclohexyl)oxypyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(3,5-dimethylcyclohexyl)oxypyridin-3-amine
PubChem CID79535668
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name5-bromo-6-(3,5-dimethylcyclohexyl)oxypyridin-3-amine
SMILESCC1CC(C)CC(Oc2ncc(N)cc2Br)C1
InChIInChI=1S/C13H19BrN2O/c1-8-3-9(2)5-11(4-8)17-13-12(14)6-10(15)7-16-13/h6-9,11H,3-5,15H2,1-2H3
InChIKeyAEORGURVRWUXKS-UHFFFAOYSA-N
XLogP3.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(3,5-dimethylcyclohexyl)oxypyridin-3-amine?
The IUPAC name of 5-bromo-6-(3,5-dimethylcyclohexyl)oxypyridin-3-amine (CID 79535668) is 5-bromo-6-(3,5-dimethylcyclohexyl)oxypyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(3,5-dimethylcyclohexyl)oxypyridin-3-amine?
The canonical SMILES for 5-bromo-6-(3,5-dimethylcyclohexyl)oxypyridin-3-amine is CC1CC(C)CC(Oc2ncc(N)cc2Br)C1.
What is the InChIKey of 5-bromo-6-(3,5-dimethylcyclohexyl)oxypyridin-3-amine?
The InChIKey is AEORGURVRWUXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-8-3-9(2)5-11(4-8)17-13-12(14)6-10(15)7-16-13/h6-9,11H,3-5,15H2,1-2H3.
What are the key properties of 5-bromo-6-(3,5-dimethylcyclohexyl)oxypyridin-3-amine?
5-bromo-6-(3,5-dimethylcyclohexyl)oxypyridin-3-amine has a molecular weight of 299.21 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(3,5-dimethylcyclohexyl)oxypyridin-3-amine is sourced from PubChem (CID 79535668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).