5-(anilinomethyl)pyrimidine-2,4-diamine

The compound 5-(anilinomethyl)pyrimidine-2,4-diamine is a substituted pyrimidine derivative. Here's a breakdown of its structure:

Molecular Structure:

Pyrimidine core: A six-membered ring with two nitrogen atoms at positions 1 and 3 (numbering may vary depending on convention).

Substituents:

Amino groups (-NH₂) at positions 2 and 4 of the pyrimidine ring.

A (anilinomethyl) group at position 5:

This consists of a methylene linker (-CH₂-) connecting the pyrimidine ring to an aniline group (aminobenzene).

Key Features:

• The molecule has potential for biological activity due to:
  1. The presence of multiple amino groups, which can form hydrogen bonds.
  2. The aromatic aniline moiety, often found in bioactive compounds.
  3. The pyrimidine ring, common in nucleic acid bases and pharmaceuticals.

Applications:

This type of compound might be explored in medicinal chemistry as a potential:

• Antimicrobial agent
• Anticancer compound
• Enzyme inhibitor

Such molecules are also used as intermediates in the synthesis of more complex drug candidates or ligands.

Molecular Weight:215.25
XLogP3:1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:215.11709544
Monoisotopic Mass:215.11709544
Topological Polar Surface Area:89.8
Heavy Atom Count:16
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes