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CS-W001157 4
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2-(Dimethylamino)pyrimidine-4-carboxylic acid

  • CAS No. 933759-45-6

  • Cat. No. CS-W006837
  • Purity≥95%
  • MDL No.MFCD09835397

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

2-(Dimethylamino)pyrimidine-4-carboxylic acid|CS-W006837

Structure of 933759-45-6

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General Information

  • CAS No. 933759-45-6
  • Cat. No. CS-W006837
  • Purity ≥95%
  • MDL No. MFCD09835397
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉N₃O₂
  • Molecular Weight 167.17
  • Synonym(s) 2-(dimethylamino)-4-Pyrimidinecarboxylic acid
  • SMILES CN(C)C1=NC(=CC=N1)C(O)=O

Description

2-(Dimethylamino)pyrimidine-4-carboxylic acid features a pyrimidine core functionalized with a dimethylamino group at C2 and a carboxylic acid at C4, enabling dual coordination sites. This structural motif supports integration into metal-chelating systems and serves as a key scaffold in medicinal chemistry for modulating electronic properties and solubility in bioactive molecules.

Application

2-(Dimethylamino)pyrimidine-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of pyrimidine-based scaffolds through amide coupling and Suzuki-Miyaura cross-coupling reactions. Its carboxylic acid group facilitates direct derivatization, while the dimethylamino functionality enhances solubility and modulates electronic properties. The compound exhibits bench stability and compatibility with standard purification methods, making it well-suited for iterative synthesis campaigns in API development.

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   66.32
  • LogP   0.2408
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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