6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine

C11H16BrN3O — CID 79070964

IUPAC6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
SMILESCN1CCOC(CNc2cccc(Br)n2)C1
InChIInChI=1S/C11H16BrN3O/c1-15-5-6-16-9(8-15)7-13-11-4-2-3-10(12)14-11/h2-4,9H,5-8H2,1H3,(H,13,14)
InChIKeyJXOBLJVRZYGTPU-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.59
Rot. Bonds3

About 6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine

6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine (PubChem CID 79070964) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
PubChem CID79070964
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
SMILESCN1CCOC(CNc2cccc(Br)n2)C1
InChIInChI=1S/C11H16BrN3O/c1-15-5-6-16-9(8-15)7-13-11-4-2-3-10(12)14-11/h2-4,9H,5-8H2,1H3,(H,13,14)
InChIKeyJXOBLJVRZYGTPU-UHFFFAOYSA-N
XLogP1.59
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 63961095
6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80968899
N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204381
6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine
CID 80712207
8-bromo-N-[[(2S)-4-methylmorpholin-2-yl]methyl]quinazolin-4-amine
CID 95160600
4,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine
CID 78952498
6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80850810
N-[(4-methylmorpholin-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 78986336
6-bromo-N-[(2,6-dimethyloxan-4-yl)methyl]pyridin-2-amine
CID 76740997
6-bromo-N-(cyclopentylmethyl)pyridin-2-amine
CID 63963007
2-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2,3-diamine
CID 79082098
6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 80545786

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine (CID 79070964) is 6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine is CN1CCOC(CNc2cccc(Br)n2)C1.
What is the InChIKey of 6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine?
The InChIKey is JXOBLJVRZYGTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-15-5-6-16-9(8-15)7-13-11-4-2-3-10(12)14-11/h2-4,9H,5-8H2,1H3,(H,13,14).
What are the key properties of 6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine?
6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine has a molecular weight of 286.17 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 79070964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).