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    Fluoropyrimidine

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 195Xls

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    2D Structure
    Also known as: 31575-35-6, Pyrimidine, 2-fluoro-, 2-fluoro-pyrimidine, Pyrimidine, fluoro-, Fluoropyrimidine, Mfcd08059530
    Molecular Formula
    C4H3FN2
    Molecular Weight
    98.08  g/mol
    InChI Key
    WAVYAFBQOXCGSZ-UHFFFAOYSA-N
    Fluoropyrimidine is any fluoropyrimidine-based agent with potential antineoplastic activity. As an antimetabolite, a fluoropyrimidine interferes with pyrimidine utilization and incorporation into DNA and RNA.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-fluoropyrimidine
    2.1.2 InChI
    InChI=1S/C4H3FN2/c5-4-6-2-1-3-7-4/h1-3H
    2.1.3 InChI Key
    WAVYAFBQOXCGSZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CN=C(N=C1)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 31575-35-6

    2. Pyrimidine, 2-fluoro-

    3. 2-fluoro-pyrimidine

    4. Pyrimidine, Fluoro-

    5. Fluoropyrimidine

    6. Mfcd08059530

    7. Pyrimidine,2-fluoro-

    8. Amy088

    9. Dtxsid40185466

    10. Zinc6119128

    11. Bbl103780

    12. Stl557590

    13. Akos005258968

    14. Zinc329788201

    15. Cs-w018601

    16. Sb55512

    17. As-57144

    18. A820916

    19. J-509528

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 98.08 g/mol
    Molecular Formula C4H3FN2
    XLogP30
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass98.02802627 g/mol
    Monoisotopic Mass98.02802627 g/mol
    Topological Polar Surface Area25.8 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity51.7
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1