4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine

C15H18BrN3 — CID 107638611

IUPAC4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(Nc2cccc(Br)c2C)ccn1
InChIInChI=1S/C15H18BrN3/c1-3-8-17-15-10-12(7-9-18-15)19-14-6-4-5-13(16)11(14)2/h4-7,9-10H,3,8H2,1-2H3,(H2,17,18,19)
InChIKeyMMAHHZFNVSAQKB-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.72
Rot. Bonds5

About 4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine

4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine (PubChem CID 107638611) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine
PubChem CID107638611
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1cc(Nc2cccc(Br)c2C)ccn1
InChIInChI=1S/C15H18BrN3/c1-3-8-17-15-10-12(7-9-18-15)19-14-6-4-5-13(16)11(14)2/h4-7,9-10H,3,8H2,1-2H3,(H2,17,18,19)
InChIKeyMMAHHZFNVSAQKB-UHFFFAOYSA-N
XLogP4.72
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-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

4-N-(2-bromo-6-fluorophenyl)-2-N-propylpyridine-2,4-diamine
CID 107604542
4-N-(3-bromo-2-methylphenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 107638809
5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 107638767
3-[[2-(propylamino)-4-pyridinyl]amino]propane-1-sulfonamide
CID 113367731
4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 107638807
2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881854
4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 55192891
6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine
CID 107636993
4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine
CID 106041619
4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-propylpyridine-2,4-diamine
CID 113367699
2-[[8-(3-bromo-2-methylanilino)-1,7-naphthyridin-3-yl]amino]ethanol
CID 135146210
N-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62172134

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine?
The IUPAC name of 4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine (CID 107638611) is 4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine?
The canonical SMILES for 4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine is CCCNc1cc(Nc2cccc(Br)c2C)ccn1.
What is the InChIKey of 4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine?
The InChIKey is MMAHHZFNVSAQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-3-8-17-15-10-12(7-9-18-15)19-14-6-4-5-13(16)11(14)2/h4-7,9-10H,3,8H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine?
4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine has a molecular weight of 320.23 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-2-methylphenyl)-2-N-propylpyridine-2,4-diamine is sourced from PubChem (CID 107638611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).