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CS-W001157 4
Total: USD 88.00

4-methylpyrimidine-5-carboxylic acid

  • CAS No. 157335-92-7

  • Cat. No. CS-W000496
  • Molecule weight138.12
  • Purity≥98%
  • MDL No.MFCD08361632

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

4-methylpyrimidine-5-carboxylic acid|CS-W000496

Structure of 157335-92-7

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General Information

  • CAS No. 157335-92-7
  • Cat. No. CS-W000496
  • Purity ≥98%
  • MDL No. MFCD08361632
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆N₂O₂
  • Molecular Weight 138.12
  • Synonym(s) 5-Pyrimidinecarboxylic acid, 4-methyl- (9CI)
  • SMILES Cc1ncncc1C(O)=O

Description

4-Methylpyrimidine-5-carboxylic acid features a pyrimidine core with strategically positioned methyl and carboxylic acid groups, enabling integration into bioactive scaffolds. The electron-deficient ring system supports diverse coupling reactions, while the carboxylic acid moiety offers direct functionalization potential. This compound serves as a key building block for pharmaceutical intermediates and heterocyclic materials.

Application

4-Methylpyrimidine-5-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. The carboxylic acid group facilitates amide coupling and esterification, while the methyl substituent enhances metabolic stability and modulates electronic properties. Its bench-stable nature and compatibility with standard peptide coupling protocols make it well-suited for modular library synthesis and scale-up applications.

Synthesis

  • Route1

    References

    • WO2011/42797 A1, ; Page/Page column 69-70 ;

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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