4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine

C13H14BrN3O — CID 113367654

IUPAC4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine
SMILESCNc1cc(Nc2cc(Br)ccc2OC)ccn1
InChIInChI=1S/C13H14BrN3O/c1-15-13-8-10(5-6-16-13)17-11-7-9(14)3-4-12(11)18-2/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyRDLHZALPDSIWJD-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.64
Rot. Bonds4

About 4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine

4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine (PubChem CID 113367654) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine
PubChem CID113367654
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine
SMILESCNc1cc(Nc2cc(Br)ccc2OC)ccn1
InChIInChI=1S/C13H14BrN3O/c1-15-13-8-10(5-6-16-13)17-11-7-9(14)3-4-12(11)18-2/h3-8H,1-2H3,(H2,15,16,17)
InChIKeyRDLHZALPDSIWJD-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

N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine
CID 102824089
6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine
CID 80804696
3-N-(5-bromo-2-methoxyphenyl)benzene-1,3-diamine
CID 54968360
1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62912318
5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine
CID 113423853
4-N-(5-bromo-2-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80804931
4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine
CID 113367409
4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80759827
N-(5-bromo-2-methoxyphenyl)-1-phenylimidazol-2-amine
CID 106569079
4-N-(5-bromo-2-methoxyphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80804520
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 82861687
4-(5-bromo-2-methoxyanilino)-2-methylbenzonitrile
CID 81281831

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine?
The IUPAC name of 4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine (CID 113367654) is 4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine?
The canonical SMILES for 4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine is CNc1cc(Nc2cc(Br)ccc2OC)ccn1.
What is the InChIKey of 4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine?
The InChIKey is RDLHZALPDSIWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-15-13-8-10(5-6-16-13)17-11-7-9(14)3-4-12(11)18-2/h3-8H,1-2H3,(H2,15,16,17).
What are the key properties of 4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine?
4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-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 4-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,4-diamine is sourced from PubChem (CID 113367654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).