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5-Hydroxypyrimidine-2-carbonitrile

  • CAS No. 345642-86-6

  • Cat. No. CS-0158529
  • Molecule weight121.10
  • Purity≥98%
  • MDL No.None

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

5-Hydroxypyrimidine-2-carbonitrile|CS-0158529

Structure of 345642-86-6

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General Information

  • CAS No. 345642-86-6
  • Cat. No. CS-0158529
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₃N₃O
  • Molecular Weight 121.10
  • Synonym(s) 5-Hydroxy-2-pyrimidinecarbonitrile
  • SMILES C(#N)C1=NC=C(C=N1)O

Description

5-Hydroxypyrimidine-2-carbonitrile features a hydroxyl group at the 5-position and a nitrile moiety at the 2-position, enabling dual functionalization in synthetic sequences. This electron-deficient heterocycle integrates readily into pharmaceutical intermediates and bioactive scaffolds, offering enhanced solubility and stability under standard conditions.

Application

5-Hydroxypyrimidine-2-carbonitrile serves as a versatile building block for heterocyclic synthesis, enabling efficient access to pyrimidine-based scaffolds through nucleophilic substitution and cyclization reactions. Its hydroxyl and nitrile groups offer orthogonal reactivity for functionalization, while the compound exhibits sufficient bench stability for routine handling. This dual functionality facilitates integration into medicinal chemistry campaigns targeting kinase inhibitors and antiviral agents, particularly where pyrimidine cores are required.

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
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   69.8
  • LogP   0.05388
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

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