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CS-W001157 4
Total: USD 88.00

5-Methylpyrimidine-2-carboxylic acid

  • CAS No. 99420-75-4

  • Cat. No. CS-W022418
  • Purity≥98%
  • MDL No.MFCD09910349

*For research and further manufacturing use only, not for direct human use.

5-Methylpyrimidine-2-carboxylic acid|CS-W022418

Structure of 99420-75-4

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General Information

  • CAS No. 99420-75-4
  • Cat. No. CS-W022418
  • Purity ≥98%
  • MDL No. MFCD09910349
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆N₂O₂
  • Molecular Weight 138.12
  • Synonym(s) 2-Pyrimidinecarboxylic acid, 5-methyl- (6CI,9CI)
  • SMILES O=C(C1=NC=C(C)C=N1)O

Description

5-Methylpyrimidine-2-carboxylic acid features a pyrimidine core bearing a methyl group at the 5-position and a carboxylic acid at the 2-position, enabling direct integration into heterocyclic scaffolds. This electron-deficient motif facilitates coupling reactions under mild conditions, offering a robust platform for medicinal chemistry campaigns targeting kinase inhibitors and other bioactive molecules.

Application

5-Methylpyrimidine-2-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of pyrimidine-based scaffolds prevalent in kinase inhibitors and antiviral agents. Its carboxylic acid functionality facilitates amide coupling and esterification, while the methyl group enhances metabolic stability and modulates electronic properties. The compound exhibits excellent bench stability and compatibility with standard functional group manipulations, making it ideal for modular synthesis and high-throughput screening campaigns.

Synthesis

  • Route1

    References

    • Chemistry of Heterocyclic Compounds (New York, NY, United States), , vol. 29, # 4 p. 427 - 431 Khimiya Geterotsiklicheskikh Soedinenii, , # 4 p. 503 - 508
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      151673-94-8
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      5-Methylpyrimidine-2-carboxylic acid|CS-W022418
      99420-75-4

    References

    • Chemistry of Heterocyclic Compounds (New York, NY, United States), , vol. 29, # 4 p. 427 - 431 Khimiya Geterotsiklicheskikh Soedinenii, , # 4 p. 503 - 508

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   63.08
  • LogP   0.48322
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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