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

C13H14BrN3 — CID 80767793

IUPAC6-N-(2-bromo-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(Nc2ccc(C)cc2Br)n1
InChIInChI=1S/C13H14BrN3/c1-9-6-7-11(10(14)8-9)16-13-5-3-4-12(15-2)17-13/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyKQYGDPSLRGNVCD-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.94
Rot. Bonds3

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

6-N-(2-bromo-4-methylphenyl)-2-N-methylpyridine-2,6-diamine (PubChem CID 80767793) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 6-N-(2-bromo-4-methylphenyl)-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-bromo-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
PubChem CID80767793
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name6-N-(2-bromo-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(Nc2ccc(C)cc2Br)n1
InChIInChI=1S/C13H14BrN3/c1-9-6-7-11(10(14)8-9)16-13-5-3-4-12(15-2)17-13/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyKQYGDPSLRGNVCD-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-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine
CID 80801057
4-N-(2-bromo-4-methylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80768591
6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 104725517
4-N-(2-bromo-4-methylphenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80768997
4-N-(2-bromo-4-methylphenyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770015
N-(2-bromo-4-methylphenyl)-4-methylquinolin-2-amine
CID 11537178
6-N-(4-bromo-3-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80759559
2-N-methyl-6-N-(2-methylphenyl)pyridine-2,6-diamine
CID 80755629
5-N-(2-bromo-4-methylphenyl)-3-N-(2,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963784
2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile
CID 24706091
6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine
CID 112863835
6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine
CID 80804696

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-bromo-4-methylphenyl)-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-(2-bromo-4-methylphenyl)-2-N-methylpyridine-2,6-diamine (CID 80767793) is 6-N-(2-bromo-4-methylphenyl)-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-bromo-4-methylphenyl)-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-bromo-4-methylphenyl)-2-N-methylpyridine-2,6-diamine is CNc1cccc(Nc2ccc(C)cc2Br)n1.
What is the InChIKey of 6-N-(2-bromo-4-methylphenyl)-2-N-methylpyridine-2,6-diamine?
The InChIKey is KQYGDPSLRGNVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-9-6-7-11(10(14)8-9)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-(2-bromo-4-methylphenyl)-2-N-methylpyridine-2,6-diamine?
6-N-(2-bromo-4-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-(2-bromo-4-methylphenyl)-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 80767793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).