6-N-(4-bromo-3-methylphenyl)-2-N-methylpyridine-2,6-diamine

C13H14BrN3 — CID 80759559

IUPAC6-N-(4-bromo-3-methylphenyl)-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(Nc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C13H14BrN3/c1-9-8-10(6-7-11(9)14)16-13-5-3-4-12(15-2)17-13/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyIKRXCDAJYXVAKI-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.94
Rot. Bonds3

About 6-N-(4-bromo-3-methylphenyl)-2-N-methylpyridine-2,6-diamine

6-N-(4-bromo-3-methylphenyl)-2-N-methylpyridine-2,6-diamine (PubChem CID 80759559) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 6-N-(4-bromo-3-methylphenyl)-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(4-bromo-3-methylphenyl)-2-N-methylpyridine-2,6-diamine
PubChem CID80759559
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name6-N-(4-bromo-3-methylphenyl)-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(Nc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C13H14BrN3/c1-9-8-10(6-7-11(9)14)16-13-5-3-4-12(15-2)17-13/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyIKRXCDAJYXVAKI-UHFFFAOYSA-N
XLogP3.94
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80755260
N-(4-bromo-3-methylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62239926
2-N-methyl-6-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-2,6-diamine
CID 80812662
6-bromo-N-(3-bromo-4-methylphenyl)pyridin-2-amine
CID 63961760
6-N-(2-bromo-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80767793
6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 104725517
2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927219
6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine
CID 80801057
4-N-(4-bromo-3-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902148
4-N-(3-bromo-4-methylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80829480
2-N-methyl-6-N-(2-methylphenyl)pyridine-2,6-diamine
CID 80755629
6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid
CID 29038766

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-bromo-3-methylphenyl)-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-(4-bromo-3-methylphenyl)-2-N-methylpyridine-2,6-diamine (CID 80759559) is 6-N-(4-bromo-3-methylphenyl)-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(4-bromo-3-methylphenyl)-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(4-bromo-3-methylphenyl)-2-N-methylpyridine-2,6-diamine is CNc1cccc(Nc2ccc(Br)c(C)c2)n1.
What is the InChIKey of 6-N-(4-bromo-3-methylphenyl)-2-N-methylpyridine-2,6-diamine?
The InChIKey is IKRXCDAJYXVAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-9-8-10(6-7-11(9)14)16-13-5-3-4-12(15-2)17-13/h3-8H,1-2H3,(H2,15,16,17).
What are the key properties of 6-N-(4-bromo-3-methylphenyl)-2-N-methylpyridine-2,6-diamine?
6-N-(4-bromo-3-methylphenyl)-2-N-methylpyridine-2,6-diamine has a molecular weight of 292.18 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-bromo-3-methylphenyl)-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 80759559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).