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CS-W001157 4
Total: USD 88.00

6-Amino-5-chloro-4-pyrimidinecarboxylic acid

  • CAS No. 914916-98-6

  • Cat. No. CS-0006082
  • Molecule weight173.56
  • Purity≥97%
  • MDL No.MFCD12923334

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

6-Amino-5-chloro-4-pyrimidinecarboxylic acid|CS-0006082

Structure of 914916-98-6

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General Information

  • CAS No. 914916-98-6
  • Cat. No. CS-0006082
  • Purity ≥97%
  • MDL No. MFCD12923334
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄ClN₃O₂
  • Molecular Weight 173.56
  • Synonym(s) 6-Amino-5-chloro-4-pyrimidinecarboxylicacid
  • SMILES O=C(C1=C(Cl)C(N)=NC=N1)O

Description

6-Amino-5-chloro-4-pyrimidinecarboxylic acid features a pyrimidine core functionalized with amino, chloro, and carboxylic acid groups at positions 6, 5, and 4, respectively. This arrangement delivers a versatile scaffold for medicinal chemistry applications, combining hydrogen-bond donor capacity with moderate electron-withdrawing character. The compound exhibits bench-stable handling properties and integrates readily into diverse synthetic pathways.

Application

6-Amino-5-chloro-4-pyrimidinecarboxylic acid serves as a versatile building block in the synthesis of pyrimidine-based heterocycles, enabling efficient access to medicinally relevant scaffolds. Its amino and carboxylic acid functionalities provide orthogonal reactivity for coupling, derivatization, and salt formation, while the chlorine substituent facilitates nucleophilic substitution reactions. The compound exhibits good bench stability and is compatible with standard purification protocols, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Safety Information

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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   89.1
  • LogP   0.4104
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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