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CS-W001157 4
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Pyrimidin-4-yl-acetic acid

  • CAS No. 325491-53-0

  • Cat. No. CS-0053753
  • Molecule weight138.12
  • Purity≥95%
  • MDL No.MFCD06796208

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

Pyrimidin-4-yl-acetic acid|CS-0053753

Structure of 325491-53-0

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General Information

  • CAS No. 325491-53-0
  • Cat. No. CS-0053753
  • Purity ≥95%
  • MDL No. MFCD06796208
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆N₂O₂
  • Molecular Weight 138.12
  • Synonym(s) 4-Pyrimidinylacetic acid
  • SMILES N1=CN=C(C=C1)CC(=O)O

Description

Pyrimidin-4-yl-acetic acid features a pyrimidine ring linked to a carboxylic acid group, enabling direct incorporation into bioactive molecules. This scaffold delivers enhanced metabolic stability and targeted electronic properties, making it valuable for medicinal chemistry applications involving kinase inhibitors and nucleoside analogs.

Application

Pyrimidin-4-yl-acetic acid serves as a versatile building block in medicinal chemistry, enabling the construction of pyrimidine-based scaffolds prevalent in kinase inhibitors and antiviral agents. Its carboxylic acid functionality facilitates direct amidation, esterification, and derivatization under standard coupling conditions. The molecule exhibits good bench stability and solubility in common organic solvents, supporting straightforward purification and integration into multi-step synthetic sequences.

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   63.08
  • LogP   0.1037
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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