6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine

C13H15BrN4 — CID 114223074

IUPAC6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(Nc2cncc(Br)c2)n1
InChIInChI=1S/C13H15BrN4/c1-2-6-16-12-4-3-5-13(18-12)17-11-7-10(14)8-15-9-11/h3-5,7-9H,2,6H2,1H3,(H2,16,17,18)
InChIKeyXNFJPOQFGHMESU-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.80
Rot. Bonds5

About 6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine

6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine (PubChem CID 114223074) has the molecular formula C13H15BrN4 and a molecular weight of 307.20 g/mol. Its IUPAC name is 6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine
PubChem CID114223074
Molecular FormulaC13H15BrN4
Molecular Weight307.20 g/mol
Exact Mass306.05
IUPAC Name6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(Nc2cncc(Br)c2)n1
InChIInChI=1S/C13H15BrN4/c1-2-6-16-12-4-3-5-13(18-12)17-11-7-10(14)8-15-9-11/h3-5,7-9H,2,6H2,1H3,(H2,16,17,18)
InChIKeyXNFJPOQFGHMESU-UHFFFAOYSA-N
XLogP3.80
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine
CID 107580627
6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 80761080
2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80760387
5-bromo-N-(4-tert-butylphenyl)pyridin-3-amine
CID 113423544
4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile
CID 107794996
5-bromo-N-(3-ethylphenyl)pyridin-3-amine
CID 104531520
5-N-[(3-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104533230
5-bromo-N-naphthalen-1-ylpyridin-3-amine
CID 113423538
2-N-(4-bromo-2,6-dimethylphenyl)-6-N-propylpyrazine-2,6-diamine
CID 80847855
6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 82862442
5-bromo-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 104531470
5-bromo-N-hexylpyridin-3-amine
CID 115656852

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine (CID 114223074) is 6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(Nc2cncc(Br)c2)n1.
What is the InChIKey of 6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine?
The InChIKey is XNFJPOQFGHMESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-2-6-16-12-4-3-5-13(18-12)17-11-7-10(14)8-15-9-11/h3-5,7-9H,2,6H2,1H3,(H2,16,17,18).
What are the key properties of 6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine?
6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine has a molecular weight of 307.20 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 114223074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).