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4-(Difluoromethyl)pyrimidin-2-amine

  • CAS No. 1780891-13-5

  • Cat. No. CS-0526690
  • Molecule weight145.11
  • Purity≥98%
  • MDL No.MFCD28655484

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

4-(Difluoromethyl)pyrimidin-2-amine|CS-0526690

Structure of 1780891-13-5

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General Information

  • CAS No. 1780891-13-5
  • Cat. No. CS-0526690
  • Purity ≥98%
  • MDL No. MFCD28655484
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅F₂N₃
  • Molecular Weight 145.11
  • Synonym(s) None
  • SMILES NC1=NC=CC(C(F)F)=N1

Description

4-(Difluoromethyl)pyrimidin-2-amine features a difluoromethyl group attached to a pyrimidine scaffold, delivering enhanced metabolic stability and improved membrane permeability. This electron-deficient heterocycle integrates readily into kinase inhibitor scaffolds and serves as a key building block in medicinal chemistry campaigns targeting ATP-binding sites.

Application

4-(Difluoromethyl)pyrimidin-2-amine serves as a versatile building block in medicinal chemistry, enabling the introduction of a polar, metabolically stable difluoromethyl group into bioactive molecules. Its pyrimidine core facilitates hydrogen bonding and π-stacking interactions, while the amine functionality supports direct derivatization or incorporation into diverse heterocyclic scaffolds. The compound exhibits excellent bench stability and compatibility with standard coupling reactions, making it well-suited for parallel synthesis campaigns and lead optimization workflows.

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   51.8
  • LogP   0.9964
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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