3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine

C9H15BrN4 — CID 79021090

IUPAC3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine
SMILESCN(C)CCNc1ncc(N)cc1Br
InChIInChI=1S/C9H15BrN4/c1-14(2)4-3-12-9-8(10)5-7(11)6-13-9/h5-6H,3-4,11H2,1-2H3,(H,12,13)
InChIKeyXVGBKNULILOQGY-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.40
Rot. Bonds4

About 3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine

3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine (PubChem CID 79021090) has the molecular formula C9H15BrN4 and a molecular weight of 259.15 g/mol. Its IUPAC name is 3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine
PubChem CID79021090
Molecular FormulaC9H15BrN4
Molecular Weight259.15 g/mol
Exact Mass258.05
IUPAC Name3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine
SMILESCN(C)CCNc1ncc(N)cc1Br
InChIInChI=1S/C9H15BrN4/c1-14(2)4-3-12-9-8(10)5-7(11)6-13-9/h5-6H,3-4,11H2,1-2H3,(H,12,13)
InChIKeyXVGBKNULILOQGY-UHFFFAOYSA-N
XLogP1.40
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine
CID 79531860
3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine
CID 79532457
N-[2-[(5-amino-3-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 79532367
N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 104923678
3-bromo-2-N-[3-(2-methylpropoxy)propyl]pyridine-2,5-diamine
CID 114097536
3-bromo-2-N-(2-piperidin-1-ylethyl)pyridine-2,5-diamine
CID 79531632
3-bromo-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine
CID 114143843
3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106394058
3-bromo-2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,5-diamine
CID 79530686
5-bromo-6-[2-(dimethylamino)ethoxy]pyridin-3-amine;ethane
CID 143903964
[1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 115454140
4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106140711

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine (CID 79021090) is 3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine is CN(C)CCNc1ncc(N)cc1Br.
What is the InChIKey of 3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine?
The InChIKey is XVGBKNULILOQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4/c1-14(2)4-3-12-9-8(10)5-7(11)6-13-9/h5-6H,3-4,11H2,1-2H3,(H,12,13).
What are the key properties of 3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine?
3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine has a molecular weight of 259.15 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 79021090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).