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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 945950-37-8, Mfcd13619883, 7h-pyrrolo[2,3-d]pyrimidine,4-methyl-, Rz4a845pgq, Schembl192778, Qwiahmvnmonkcu-uhfffaoysa-n
    Molecular Formula
    C7H7N3
    Molecular Weight
    133.15  g/mol
    InChI Key
    QWIAHMVNMONKCU-UHFFFAOYSA-N
    FDA UNII
    RZ4A845PGQ
    CAS No 945950-37-8
    1 2D Structure

    CAS No 945950-37-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-methyl-7H-pyrrolo[2,3-d]pyrimidine
    2.1.2 InChI
    InChI=1S/C7H7N3/c1-5-6-2-3-8-7(6)10-4-9-5/h2-4H,1H3,(H,8,9,10)
    2.1.3 InChI Key
    QWIAHMVNMONKCU-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    RZ4A845PGQ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 945950-37-8

    2. Mfcd13619883

    3. 7h-pyrrolo[2,3-d]pyrimidine,4-methyl-

    4. Rz4a845pgq

    5. Schembl192778

    6. Qwiahmvnmonkcu-uhfffaoysa-n

    7. Amy33857

    8. Akos006356475

    9. Pb13597

    10. As-34799

    11. Sy097663

    12. 7h-pyrrolo[2,3-d]pyrimidine, 4-methyl-

    13. Db-358437

    14. Cs-0050807

    15. A859323

    2.4 Create Date
    2011-05-03
    3 Chemical and Physical Properties
    Molecular Weight 133.15 g/mol
    Molecular Formula C7H7N3
    XLogP31.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area41.6
    Heavy Atom Count10
    Formal Charge0
    Complexity126
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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