Cas no 2010958-16-2 (5-Methylpyrimidine-4,6-dicarboxylic acid)

5-Methylpyrimidine-4,6-dicarboxylic acid is a pyrimidine derivative featuring both a methyl substituent and two carboxylic acid functional groups. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and coordination chemistry applications. The presence of dual carboxyl groups enables further functionalization, such as esterification or amidation, while the methyl group can influence reactivity and steric properties. Its rigid pyrimidine core contributes to stability and potential binding interactions in molecular design. The compound is typically characterized by high purity and consistent performance, making it suitable for research and industrial applications requiring precise chemical modifications.
5-Methylpyrimidine-4,6-dicarboxylic acid structure
2010958-16-2 structure
Product Name:5-Methylpyrimidine-4,6-dicarboxylic acid
CAS No:2010958-16-2
MF:C7H6N2O4
MW:182.133541584015
CID:4670013
PubChem ID:132372867
Update Time:2025-10-29

5-Methylpyrimidine-4,6-dicarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Methylpyrimidine-4,6-dicarboxylic acid
    • C73809
    • A920543
    • BS-15890
    • AKOS037648865
    • CS-0160698
    • 2010958-16-2
    • EN300-1654988
    • Z2510946256
    • MDL: MFCD31617065
    • Inchi: 1S/C7H6N2O4/c1-3-4(6(10)11)8-2-9-5(3)7(12)13/h2H,1H3,(H,10,11)(H,12,13)
    • InChI Key: YMLNPSXGIDFHPZ-UHFFFAOYSA-N
    • SMILES: OC(C1C(C)=C(C(=O)O)N=CN=1)=O

Computed Properties

  • Exact Mass: 182.03275668g/mol
  • Monoisotopic Mass: 182.03275668g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 209
  • 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: 0.3
  • Topological Polar Surface Area: 100

5-Methylpyrimidine-4,6-dicarboxylic acid Security Information

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