6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine

C12H18BrN3O — CID 63961941

IUPAC6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine
SMILESBrc1cccc(NCCCN2CCOCC2)n1
InChIInChI=1S/C12H18BrN3O/c13-11-3-1-4-12(15-11)14-5-2-6-16-7-9-17-10-8-16/h1,3-4H,2,5-10H2,(H,14,15)
InChIKeyUWHZLGZVAFCVBO-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.98
Rot. Bonds5

About 6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine

6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine (PubChem CID 63961941) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine
PubChem CID63961941
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine
SMILESBrc1cccc(NCCCN2CCOCC2)n1
InChIInChI=1S/C12H18BrN3O/c13-11-3-1-4-12(15-11)14-5-2-6-16-7-9-17-10-8-16/h1,3-4H,2,5-10H2,(H,14,15)
InChIKeyUWHZLGZVAFCVBO-UHFFFAOYSA-N
XLogP1.98
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 80914696
6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine
CID 80646711
N-(3-morpholin-4-ylpropyl)-5-phenylpyridin-2-amine
CID 141285664
6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 103875005
3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide
CID 63961528
5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine
CID 71199797
2-tert-butyl-6-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 80945888
6-[(6-bromo-2-pyridinyl)amino]hexan-1-ol
CID 107854113
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 4193041
4-N-(3-morpholin-4-ylpropyl)-2-N-(3-pyridin-4-ylphenyl)pyrimidine-2,4-diamine
CID 24797792
8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine
CID 27271084
6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 117080618

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine (CID 63961941) is 6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine is Brc1cccc(NCCCN2CCOCC2)n1.
What is the InChIKey of 6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine?
The InChIKey is UWHZLGZVAFCVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c13-11-3-1-4-12(15-11)14-5-2-6-16-7-9-17-10-8-16/h1,3-4H,2,5-10H2,(H,14,15).
What are the key properties of 6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine?
6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine has a molecular weight of 300.20 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 63961941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).