Cas no 226559-53-1 (2,6-Dimethoxy-5-nitro-4-pyrimidinecarboxylic acid)

2,6-Dimethoxy-5-nitro-4-pyrimidinecarboxylic acid is a nitro-substituted pyrimidine derivative with significant utility in organic synthesis and pharmaceutical research. Its structure, featuring methoxy and nitro functional groups, enhances reactivity in nucleophilic substitution and condensation reactions, making it a valuable intermediate for constructing heterocyclic compounds. The carboxylic acid moiety further allows for derivatization, facilitating the development of novel pharmacophores or agrochemicals. This compound’s stability under standard conditions and high purity make it suitable for precise synthetic applications. Its role in medicinal chemistry is underscored by its potential as a precursor in the synthesis of bioactive molecules, particularly those targeting nucleic acid interactions or enzyme inhibition.
2,6-Dimethoxy-5-nitro-4-pyrimidinecarboxylic acid structure
226559-53-1 structure
Product Name:2,6-Dimethoxy-5-nitro-4-pyrimidinecarboxylic acid
CAS No:226559-53-1
MF:C7H7N3O6
MW:229.146981477737
CID:4711551
Update Time:2025-05-28

2,6-Dimethoxy-5-nitro-4-pyrimidinecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2,6-dimethoxy-5-nitro-4-pyrimidinecarboxylic acid
    • 2,6-Dimethoxy-5-nitro-4-pyrimidinecarboxylic acid
    • Inchi: 1S/C7H7N3O6/c1-15-5-4(10(13)14)3(6(11)12)8-7(9-5)16-2/h1-2H3,(H,11,12)
    • InChI Key: LVUKENXYPAGOMH-UHFFFAOYSA-N
    • SMILES: O(C)C1=C(C(C(=O)O)=NC(=N1)OC)[N+](=O)[O-]

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 280
  • Topological Polar Surface Area: 127

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