6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine

C13H14BrN3O — CID 80804696

IUPAC6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(Nc2cc(Br)ccc2OC)n1
InChIInChI=1S/C13H14BrN3O/c1-15-12-4-3-5-13(17-12)16-10-8-9(14)6-7-11(10)18-2/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyLGBFWUFBMVZIOR-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.64
Rot. Bonds4

About 6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine

6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine (PubChem CID 80804696) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine
PubChem CID80804696
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(Nc2cc(Br)ccc2OC)n1
InChIInChI=1S/C13H14BrN3O/c1-15-12-4-3-5-13(17-12)16-10-8-9(14)6-7-11(10)18-2/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyLGBFWUFBMVZIOR-UHFFFAOYSA-N
XLogP3.64
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(2,4-dibromophenyl)-2-N-methylpyridine-2,6-diamine
CID 80801057
4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine
CID 113367654
4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 80804517
2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63403025
4-N-(5-bromo-2-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80804931
6-chloro-N-(2,5-dibromophenyl)pyridin-2-amine
CID 63588218
3-N-(5-bromo-2-methoxyphenyl)benzene-1,3-diamine
CID 54968360
4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80940149
N-(5-bromo-2-methoxyphenyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
CID 62177125
6-N-(2-bromo-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80767793
4-N-(5-bromo-2-methoxyphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80804520
6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717970

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine (CID 80804696) is 6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine is CNc1cccc(Nc2cc(Br)ccc2OC)n1.
What is the InChIKey of 6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine?
The InChIKey is LGBFWUFBMVZIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-15-12-4-3-5-13(17-12)16-10-8-9(14)6-7-11(10)18-2/h3-8H,1-2H3,(H2,15,16,17).
What are the key properties of 6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine?
6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine has a molecular weight of 308.18 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 80804696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).