5-bromo-2-(3,3-dimethylmorpholin-4-yl)pyridin-3-amine

C11H16BrN3O — CID 61429931

IUPAC5-bromo-2-(3,3-dimethylmorpholin-4-yl)pyridin-3-amine
SMILESCC1(C)COCCN1c1ncc(Br)cc1N
InChIInChI=1S/C11H16BrN3O/c1-11(2)7-16-4-3-15(11)10-9(13)5-8(12)6-14-10/h5-6H,3-4,7,13H2,1-2H3
InChIKeyXTGPUFOLLJKHJY-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.04
Rot. Bonds1

About 5-bromo-2-(3,3-dimethylmorpholin-4-yl)pyridin-3-amine

5-bromo-2-(3,3-dimethylmorpholin-4-yl)pyridin-3-amine (PubChem CID 61429931) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-2-(3,3-dimethylmorpholin-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-(3,3-dimethylmorpholin-4-yl)pyridin-3-amine
PubChem CID61429931
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-2-(3,3-dimethylmorpholin-4-yl)pyridin-3-amine
SMILESCC1(C)COCCN1c1ncc(Br)cc1N
InChIInChI=1S/C11H16BrN3O/c1-11(2)7-16-4-3-15(11)10-9(13)5-8(12)6-14-10/h5-6H,3-4,7,13H2,1-2H3
InChIKeyXTGPUFOLLJKHJY-UHFFFAOYSA-N
XLogP2.04
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(3,3-dimethylmorpholin-4-yl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,3-dimethylmorpholin-4-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-2-(3,3-dimethylmorpholin-4-yl)pyridin-3-amine (CID 61429931) is 5-bromo-2-(3,3-dimethylmorpholin-4-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-(3,3-dimethylmorpholin-4-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-2-(3,3-dimethylmorpholin-4-yl)pyridin-3-amine is CC1(C)COCCN1c1ncc(Br)cc1N.
What is the InChIKey of 5-bromo-2-(3,3-dimethylmorpholin-4-yl)pyridin-3-amine?
The InChIKey is XTGPUFOLLJKHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-11(2)7-16-4-3-15(11)10-9(13)5-8(12)6-14-10/h5-6H,3-4,7,13H2,1-2H3.
What are the key properties of 5-bromo-2-(3,3-dimethylmorpholin-4-yl)pyridin-3-amine?
5-bromo-2-(3,3-dimethylmorpholin-4-yl)pyridin-3-amine has a molecular weight of 286.17 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,3-dimethylmorpholin-4-yl)pyridin-3-amine is sourced from PubChem (CID 61429931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).