6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine

C13H13BrClN3 — CID 104725517

IUPAC6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(Nc2cc(Cl)c(C)cc2Br)n1
InChIInChI=1S/C13H13BrClN3/c1-8-6-9(14)11(7-10(8)15)17-13-5-3-4-12(16-2)18-13/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyQBHOSTVLLOGBFO-UHFFFAOYSA-N
MW326.63 g/mol
LogP4.59
Rot. Bonds3

About 6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine

6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine (PubChem CID 104725517) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is 6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
PubChem CID104725517
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC Name6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(Nc2cc(Cl)c(C)cc2Br)n1
InChIInChI=1S/C13H13BrClN3/c1-8-6-9(14)11(7-10(8)15)17-13-5-3-4-12(16-2)18-13/h3-7H,1-2H3,(H2,16,17,18)
InChIKeyQBHOSTVLLOGBFO-UHFFFAOYSA-N
XLogP4.59
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(2-bromo-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80767793
6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine
CID 80801057
4-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 104725572
6-N-(3-chloro-2-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80763212
4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 104725543
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
3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile
CID 103469069
2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine
CID 104725516
2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766611
N-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine
CID 104724896
6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine
CID 63963848

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine (CID 104725517) is 6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine is CNc1cccc(Nc2cc(Cl)c(C)cc2Br)n1.
What is the InChIKey of 6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine?
The InChIKey is QBHOSTVLLOGBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c1-8-6-9(14)11(7-10(8)15)17-13-5-3-4-12(16-2)18-13/h3-7H,1-2H3,(H2,16,17,18).
What are the key properties of 6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine?
6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine has a molecular weight of 326.63 g/mol, XLogP of 4.59, 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-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 104725517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).