Cas no 196600-97-2 (4-Pyrimidinamine,5-chloro-2-fluoro-)

4-Pyrimidinamine,5-chloro-2-fluoro- structure
196600-97-2 structure
Product Name:4-Pyrimidinamine,5-chloro-2-fluoro-
CAS No:196600-97-2
MF:C4H3ClFN3
MW:147.538122415543
CID:116974
PubChem ID:590135
Update Time:2025-04-18

4-Pyrimidinamine,5-chloro-2-fluoro- Chemical and Physical Properties

Names and Identifiers

    • 4-Pyrimidinamine,5-chloro-2-fluoro-
    • 4-Pyrimidinamine, 5-chloro-2-fluoro- (9CI)
    • 4-Pyrimidinamine,5-chloro-2-fluoro-(9ci)
    • 5-chloro-2-fluoropyrimidin-4-amine
    • GQMUSPJIDCLALP-UHFFFAOYSA-N
    • SCHEMBL9682588
    • 196600-97-2
    • Pyrimidine, 2-fluoro-5-chloro-4-amino-
    • 5-Chloro-2-fluoro-4-pyrimidinamine #
    • Inchi: 1S/C4H3ClFN3/c5-2-1-8-4(6)9-3(2)7/h1H,(H2,7,8,9)
    • InChI Key: GQMUSPJIDCLALP-UHFFFAOYSA-N
    • SMILES: ClC1=CN=C(N=C1N)F

Computed Properties

  • Exact Mass: 147.00000
  • Monoisotopic Mass: 146.9999530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 102
  • 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: 0.9
  • Topological Polar Surface Area: 51.8?2

Experimental Properties

  • PSA: 51.80000
  • LogP: 1.43250
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