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    Chemistry

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    Also known as: 862730-04-9, 3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine, 1h-pyrazolo[3,4-d]pyrimidin-4-amine, 3-iodo-1-(1-methylethyl)-, Schembl868687, Dtxsid80648005, Amy31821
    Molecular Formula
    C8H10IN5
    Molecular Weight
    303.10  g/mol
    InChI Key
    OZULUFUHMFFLQF-UHFFFAOYSA-N
    CAS 862730-04-9
    1 2D Structure

    CAS 862730-04-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
    2.1.2 InChI
    InChI=1S/C8H10IN5/c1-4(2)14-8-5(6(9)13-14)7(10)11-3-12-8/h3-4H,1-2H3,(H2,10,11,12)
    2.1.3 InChI Key
    OZULUFUHMFFLQF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)N1C2=NC=NC(=C2C(=N1)I)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 862730-04-9

    2. 3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

    3. 1h-pyrazolo[3,4-d]pyrimidin-4-amine, 3-iodo-1-(1-methylethyl)-

    4. Schembl868687

    5. Dtxsid80648005

    6. Amy31821

    7. Bcp32899

    8. Mfcd12196866

    9. Zinc36056299

    10. Akos015998914

    11. Cs-w019087

    12. Ds-18497

    13. Db-128395

    14. A863254

    15. 1-isopropyl-3-iodo-1h-pyrazolo[3,4-d]pyrimidine-4-amine

    16. 3-iodo-1-isopropyl-1h-pyrazolo[3,4-d] Pyrimidin-4-amine

    17. 3-iodo-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine

    18. 3-iodo-1-(1-methylethyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine

    2.3 Create Date
    2008-09-27
    3 Chemical and Physical Properties
    Molecular Weight 303.10 g/mol
    Molecular Formula C8H10IN5
    XLogP31.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass302.99809 g/mol
    Monoisotopic Mass302.99809 g/mol
    Topological Polar Surface Area69.6 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity212
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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