6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine

C12H13BrN4 — CID 79823347

IUPAC6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine
SMILESNc1ccc(NCc2ccc(Br)cc2)nc1N
InChIInChI=1S/C12H13BrN4/c13-9-3-1-8(2-4-9)7-16-11-6-5-10(14)12(15)17-11/h1-6H,7,14H2,(H3,15,16,17)
InChIKeyQSIKVROQAJKCGE-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.62
Rot. Bonds3

About 6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine

6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine (PubChem CID 79823347) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine
PubChem CID79823347
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine
SMILESNc1ccc(NCc2ccc(Br)cc2)nc1N
InChIInChI=1S/C12H13BrN4/c13-9-3-1-8(2-4-9)7-16-11-6-5-10(14)12(15)17-11/h1-6H,7,14H2,(H3,15,16,17)
InChIKeyQSIKVROQAJKCGE-UHFFFAOYSA-N
XLogP2.62
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine
CID 11778514
6-N-(thiophen-3-ylmethyl)pyridine-2,3,6-triamine
CID 79827377
6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79826024
6-N-ethylpyridine-2,3,6-triamine
CID 79822372
6-N-[(4-bromophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80755274
2-[[(5,6-diamino-2-pyridinyl)amino]methyl]phenol
CID 10036825
N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine
CID 60917735
N-[(4-bromophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 78948042
6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine
CID 79826816
6-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3,6-triamine
CID 79826434
6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine
CID 79825619
N-[(4-bromophenyl)methyl]-5-chloropyridin-2-amine
CID 60705114

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine?
The IUPAC name of 6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine (CID 79823347) is 6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine is Nc1ccc(NCc2ccc(Br)cc2)nc1N.
What is the InChIKey of 6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine?
The InChIKey is QSIKVROQAJKCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c13-9-3-1-8(2-4-9)7-16-11-6-5-10(14)12(15)17-11/h1-6H,7,14H2,(H3,15,16,17).
What are the key properties of 6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine?
6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine has a molecular weight of 293.17 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-bromophenyl)methyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 79823347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).