Cas no 1781133-28-5 (2-(Difluoromethyl)pyrimidin-5-amine)

2-(Difluoromethyl)pyrimidin-5-amine is a fluorinated pyrimidine derivative with a difluoromethyl substituent at the 2-position and an amine group at the 5-position. This compound is of interest in pharmaceutical and agrochemical research due to its potential as a versatile building block for the synthesis of biologically active molecules. The difluoromethyl group enhances metabolic stability and lipophilicity, while the pyrimidine core offers opportunities for further functionalization. Its well-defined structure and high purity make it suitable for use in medicinal chemistry, particularly in the development of kinase inhibitors and other therapeutic agents. The compound is typically handled under controlled conditions to ensure stability and reactivity.
2-(Difluoromethyl)pyrimidin-5-amine structure
1781133-28-5 structure
Product Name:2-(Difluoromethyl)pyrimidin-5-amine
CAS No:1781133-28-5
MF:C5H5F2N3
MW:145.110107183456
CID:5745518
PubChem ID:105428719
Update Time:2025-06-09

2-(Difluoromethyl)pyrimidin-5-amine Chemical and Physical Properties

Names and Identifiers

    • 1781133-28-5
    • 2-(difluoromethyl)pyrimidin-5-amine
    • EN300-785880
    • SCHEMBL21275795
    • 5-Pyrimidinamine, 2-(difluoromethyl)-
    • 2-(Difluoromethyl)pyrimidin-5-amine
    • Inchi: 1S/C5H5F2N3/c6-4(7)5-9-1-3(8)2-10-5/h1-2,4H,8H2
    • InChI Key: OKQAOTANEFVRIR-UHFFFAOYSA-N
    • SMILES: FC(C1N=CC(=CN=1)N)F

Computed Properties

  • Exact Mass: 145.04515350g/mol
  • Monoisotopic Mass: 145.04515350g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 101
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 51.8?2

Experimental Properties

  • Density: 1.367±0.06 g/cm3(Predicted)
  • Boiling Point: 197.3±40.0 °C(Predicted)
  • pka: 0.34±0.42(Predicted)

2-(Difluoromethyl)pyrimidin-5-amine Pricemore >>

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