Cas no 866154-33-8 (4,6-Bis(4-fluorophenoxy)pyrimidin-2-amine)

4,6-Bis(4-fluorophenoxy)pyrimidin-2-amine structure
866154-33-8 structure
Product Name:4,6-Bis(4-fluorophenoxy)pyrimidin-2-amine
CAS No:866154-33-8
MF:C16H11F2N3O2
MW:315.274250268936
CID:5739794
PubChem ID:3710008
Update Time:2023-11-10

4,6-Bis(4-fluorophenoxy)pyrimidin-2-amine Chemical and Physical Properties

Names and Identifiers

    • 4,6-bis(4-fluorophenoxy)pyrimidin-2-amine
    • 2-Pyrimidinamine, 4,6-bis(4-fluorophenoxy)-
    • MS-1505
    • AKOS005107246
    • 866154-33-8
    • 4,6-bis(4-fluorophenoxy)-2-pyrimidinamine
    • 4,6-Bis(4-fluorophenoxy)pyrimidin-2-amine
    • Inchi: 1S/C16H11F2N3O2/c17-10-1-5-12(6-2-10)22-14-9-15(21-16(19)20-14)23-13-7-3-11(18)4-8-13/h1-9H,(H2,19,20,21)
    • InChI Key: KTEMTBPJENMZEZ-UHFFFAOYSA-N
    • SMILES: C1(N)=NC(OC2=CC=C(F)C=C2)=CC(OC2=CC=C(F)C=C2)=N1

Computed Properties

  • Exact Mass: 315.08193293g/mol
  • Monoisotopic Mass: 315.08193293g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 329
  • 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: 3.8
  • Topological Polar Surface Area: 70.3?2

Experimental Properties

  • Density: 1.384±0.06 g/cm3(Predicted)
  • Boiling Point: 476.6±55.0 °C(Predicted)
  • pka: 4.75±0.10(Predicted)
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