Cas no 548773-13-3 (2-Amino-4,6-dimethylpyrimidine-5-carboxylic acid)

2-Amino-4,6-dimethylpyrimidine-5-carboxylic acid is a heterocyclic organic compound featuring a pyrimidine core substituted with amino, methyl, and carboxylic acid functional groups. This structure imparts versatility in synthetic applications, particularly as a building block in pharmaceutical and agrochemical research. The presence of both amino and carboxyl groups enables its use in condensation reactions, amide formations, and metal coordination chemistry. Its dimethyl substitution enhances steric and electronic properties, influencing reactivity and selectivity in target syntheses. The compound is valued for its stability under standard conditions and compatibility with diverse reaction conditions, making it a practical intermediate for developing biologically active molecules.
2-Amino-4,6-dimethylpyrimidine-5-carboxylic acid structure
548773-13-3 structure
Product Name:2-Amino-4,6-dimethylpyrimidine-5-carboxylic acid
CAS No:548773-13-3
MF:C7H9N3O2
MW:167.165261030197
CID:1036349
PubChem ID:53416435
Update Time:2025-06-07

2-Amino-4,6-dimethylpyrimidine-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Amino-4,6-dimethylpyrimidine-5-carboxylic acid
    • AK128647
    • KB-19843
    • MolPort-014-744-408
    • SureCN4249930
    • DTXSID20697173
    • AKOS005355607
    • 2-Amino-4,6-dimethylpyrimidine-5-carboxylicacid
    • SB56329
    • DB-346725
    • CS-0308125
    • EN300-108587
    • SCHEMBL4249930
    • Z1013702506
    • YWA77313
    • 548773-13-3
    • Inchi: 1S/C7H9N3O2/c1-3-5(6(11)12)4(2)10-7(8)9-3/h1-2H3,(H,11,12)(H2,8,9,10)
    • InChI Key: MWCIFNSXTVBSQE-UHFFFAOYSA-N
    • SMILES: OC(C1=C(C)N=C(N)N=C1C)=O

Computed Properties

  • Exact Mass: 167.06957
  • Monoisotopic Mass: 167.069476538g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 174
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 89.1?2

Experimental Properties

  • Density: 1.356±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (9.5 g/l) (25 o C),
  • PSA: 89.1

2-Amino-4,6-dimethylpyrimidine-5-carboxylic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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