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    CAS 151266-23-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 151266-23-8, 4-amino-3-iodo-1h-pyrazolo[3,4-d]pyrimidine, 4-amino-3-iodopyrazolo[3,4-d]pyrimidine, 3-iodo-2h-pyrazolo[3,4-d]pyrimidin-4-amine, 1h-pyrazolo[3,4-d]pyrimidin-4-amine, 3-iodo-, 3-iodo-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine
    Molecular Formula
    C5H4IN5
    Molecular Weight
    261.02  g/mol
    InChI Key
    HQAIUXZORKJOJY-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine
    2.1.2 InChI
    InChI=1S/C5H4IN5/c6-3-2-4(7)8-1-9-5(2)11-10-3/h1H,(H3,7,8,9,10,11)
    2.1.3 InChI Key
    HQAIUXZORKJOJY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=NC2=NNC(=C2C(=N1)N)I
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 151266-23-8

    2. 4-amino-3-iodo-1h-pyrazolo[3,4-d]pyrimidine

    3. 4-amino-3-iodopyrazolo[3,4-d]pyrimidine

    4. 3-iodo-2h-pyrazolo[3,4-d]pyrimidin-4-amine

    5. 1h-pyrazolo[3,4-d]pyrimidin-4-amine, 3-iodo-

    6. 3-iodo-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine

    7. Mfcd03787931

    8. 3-iodo-1h-pyrazolo{3,4-d}pyrimidin-4-amine

    9. Schembl8801

    10. 7-iodo-7-deaza-8-aza-adenine

    11. Dtxsid00364058

    12. Bcp08713

    13. Zinc5814210

    14. Akos015853606

    15. Cs-w009055

    16. Pb15752

    17. Sb21681

    18. 1h-pyrazolo[3,4-d]pyrimidin-4-amine,

    19. 3-iodo-4-aminopyrazolo[3,4-d]pyridine

    20. 3-iodopyrazolo[3,4-d]pyrimidin-4-amine

    21. 4-amino-3-iodopyrazolo[3,4-d]pyridine

    22. Ac-26933

    23. Am803252

    24. As-20113

    25. Sy007580

    26. Db-006639

    27. 3-iodo-4-amino-1h-pyrazolo[3,4-d]pyridine

    28. Ft-0651030

    29. I0941

    30. 1h-pyrazolo[3,4-d]pyrimidin-4-amine,3-iodo-

    31. 3-iodo-1h-pyrazolo[3,4-d]pyrimidine-4-amine

    32. 3-iodo-4-amino-1h-pyrazolo[3,4-d]pyrimidine

    33. 3-iodo-1h-pyrazolo [3, 4-d]pyrimidin-4-amine

    34. A809151

    35. W-201348

    36. 3-iodo-1h-pyrazolo[3,4-d]pyrimidin-4-amine, Aldrichcpr

    37. 3-iodo- 3-iodo-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine

    2.3 Create Date
    2005-07-11
    3 Chemical and Physical Properties
    Molecular Weight 261.02 g/mol
    Molecular Formula C5H4IN5
    XLogP30.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass260.95114 g/mol
    Monoisotopic Mass260.95114 g/mol
    Topological Polar Surface Area80.5 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity154
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1