3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine

C12H13BrN4 — CID 79531784

IUPAC3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine
SMILESCC(Nc1ncc(N)cc1Br)c1ccccn1
InChIInChI=1S/C12H13BrN4/c1-8(11-4-2-3-5-15-11)17-12-10(13)6-9(14)7-16-12/h2-8H,14H2,1H3,(H,16,17)
InChIKeySHHLXVHRBQBHKE-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.99
Rot. Bonds3

About 3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine

3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine (PubChem CID 79531784) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine
PubChem CID79531784
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine
SMILESCC(Nc1ncc(N)cc1Br)c1ccccn1
InChIInChI=1S/C12H13BrN4/c1-8(11-4-2-3-5-15-11)17-12-10(13)6-9(14)7-16-12/h2-8H,14H2,1H3,(H,16,17)
InChIKeySHHLXVHRBQBHKE-UHFFFAOYSA-N
XLogP2.99
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-N-(1-phenylethyl)pyridine-2,5-diamine
CID 79531608
5-amino-2-(1-pyridin-2-ylethylamino)pyridine-3-carboxamide
CID 61360352
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
5-bromo-2-chloro-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
CID 79075980
4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine
CID 79916401
5-methyl-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 115922253
3-bromo-N-(1-pyridin-2-ylethyl)aniline
CID 43194583
3-bromo-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113354964
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 43729519
5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80781022
2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781352
2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781349

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine (CID 79531784) is 3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine is CC(Nc1ncc(N)cc1Br)c1ccccn1.
What is the InChIKey of 3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine?
The InChIKey is SHHLXVHRBQBHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-8(11-4-2-3-5-15-11)17-12-10(13)6-9(14)7-16-12/h2-8H,14H2,1H3,(H,16,17).
What are the key properties of 3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine?
3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine has a molecular weight of 293.17 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 79531784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).