5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine

C14H16BrN3 — CID 104535480

IUPAC5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
SMILESCCc1cc(Br)ccc1Nc1cncc(NC)c1
InChIInChI=1S/C14H16BrN3/c1-3-10-6-11(15)4-5-14(10)18-13-7-12(16-2)8-17-9-13/h4-9,16,18H,3H2,1-2H3
InChIKeyMLGRBEBYBORJJJ-UHFFFAOYSA-N
MW306.21 g/mol
LogP4.19
Rot. Bonds4

About 5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine

5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine (PubChem CID 104535480) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
PubChem CID104535480
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
SMILESCCc1cc(Br)ccc1Nc1cncc(NC)c1
InChIInChI=1S/C14H16BrN3/c1-3-10-6-11(15)4-5-14(10)18-13-7-12(16-2)8-17-9-13/h4-9,16,18H,3H2,1-2H3
InChIKeyMLGRBEBYBORJJJ-UHFFFAOYSA-N
XLogP4.19
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104532392
5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine
CID 81288979
5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532356
N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine
CID 102824327
4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 81288855
5-N-(5-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 113423741
5-N-(2,4-dimethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104532337
5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104535476
5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 113423990
5-N-(5-bromo-2-methylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104533102
N-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 81289293
6-N-(4-bromo-2-ethylphenyl)isoquinoline-5,6-diamine
CID 106948290

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine (CID 104535480) is 5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine is CCc1cc(Br)ccc1Nc1cncc(NC)c1.
What is the InChIKey of 5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine?
The InChIKey is MLGRBEBYBORJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-3-10-6-11(15)4-5-14(10)18-13-7-12(16-2)8-17-9-13/h4-9,16,18H,3H2,1-2H3.
What are the key properties of 5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine?
5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine has a molecular weight of 306.21 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104535480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).