5-bromo-4-morpholin-4-ylpyridin-2-amine

C9H12BrN3O — CID 19903213

IUPAC5-bromo-4-morpholin-4-ylpyridin-2-amine
SMILESNc1cc(N2CCOCC2)c(Br)cn1
InChIInChI=1S/C9H12BrN3O/c10-7-6-12-9(11)5-8(7)13-1-3-14-4-2-13/h5-6H,1-4H2,(H2,11,12)
InChIKeyPZAGEEYPQDIYJM-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.26
Rot. Bonds1

About 5-bromo-4-morpholin-4-ylpyridin-2-amine

5-bromo-4-morpholin-4-ylpyridin-2-amine (PubChem CID 19903213) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 5-bromo-4-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-morpholin-4-ylpyridin-2-amine
PubChem CID19903213
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name5-bromo-4-morpholin-4-ylpyridin-2-amine
SMILESNc1cc(N2CCOCC2)c(Br)cn1
InChIInChI=1S/C9H12BrN3O/c10-7-6-12-9(11)5-8(7)13-1-3-14-4-2-13/h5-6H,1-4H2,(H2,11,12)
InChIKeyPZAGEEYPQDIYJM-UHFFFAOYSA-N
XLogP1.26
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-morpholin-4-ylpyridin-2-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-4-morpholin-4-ylpyridin-2-amine?
The IUPAC name of 5-bromo-4-morpholin-4-ylpyridin-2-amine (CID 19903213) is 5-bromo-4-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-4-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-4-morpholin-4-ylpyridin-2-amine is Nc1cc(N2CCOCC2)c(Br)cn1.
What is the InChIKey of 5-bromo-4-morpholin-4-ylpyridin-2-amine?
The InChIKey is PZAGEEYPQDIYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c10-7-6-12-9(11)5-8(7)13-1-3-14-4-2-13/h5-6H,1-4H2,(H2,11,12).
What are the key properties of 5-bromo-4-morpholin-4-ylpyridin-2-amine?
5-bromo-4-morpholin-4-ylpyridin-2-amine has a molecular weight of 258.12 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 19903213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).