Cas no 666839-74-3 (Pyrimidine,2-chloro-5-fluoro-4-(1-piperazinyl)-)

Pyrimidine,2-chloro-5-fluoro-4-(1-piperazinyl)- is a heterocyclic compound featuring a pyrimidine core substituted with chloro, fluoro, and piperazinyl functional groups. This structure imparts versatility in pharmaceutical and agrochemical applications, particularly as an intermediate in the synthesis of biologically active molecules. The presence of both chloro and fluoro substituents enhances reactivity and selectivity in nucleophilic substitution reactions, while the piperazinyl group contributes to improved solubility and binding affinity in target interactions. Its well-defined chemical properties make it a valuable building block for drug discovery, especially in the development of kinase inhibitors and antimicrobial agents. The compound is typically handled under controlled conditions due to its sensitivity to moisture and light.
Pyrimidine,2-chloro-5-fluoro-4-(1-piperazinyl)- structure
666839-74-3 structure
Product Name:Pyrimidine,2-chloro-5-fluoro-4-(1-piperazinyl)-
CAS No:666839-74-3
MF:C8H10ClFN4
MW:216.643203258514
CID:501038
PubChem ID:53393355
Update Time:2025-06-09

Pyrimidine,2-chloro-5-fluoro-4-(1-piperazinyl)- Chemical and Physical Properties

Names and Identifiers

    • Pyrimidine,2-chloro-5-fluoro-4-(1-piperazinyl)-
    • 2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine
    • 666839-74-3
    • AKOS015904321
    • DTXSID20693872
    • 2-CHLORO-5-FLUORO-4-(PIPERAZIN-1-YL)PYRIMIDINE
    • A835521
    • 2-Chloro-5-fluoro-4-(1-piperazinyl)-pyrimidine
    • Inchi: 1S/C8H10ClFN4/c9-8-12-5-6(10)7(13-8)14-3-1-11-2-4-14/h5,11H,1-4H2
    • InChI Key: XWTZBZZMKAJSSV-UHFFFAOYSA-N
    • SMILES: ClC1=NC=C(C(=N1)N1CCNCC1)F

Computed Properties

  • Exact Mass: 216.058
  • Monoisotopic Mass: 216.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 188
  • 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: 1.1
  • Topological Polar Surface Area: 41?2

Pyrimidine,2-chloro-5-fluoro-4-(1-piperazinyl)- Pricemore >>

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