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    Technical details about CAS 1374639-77-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 1374639-77-6

    BUILDING BLOCK

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    2D Structure
    Also known as: 1374639-77-6, (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol, D9wk53597v, Mfcd29072793, 2-chloro-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidine-6-methanol, 2-chloro-7-cyclopentyl-7h-pyrrolo(2,3-d)pyrimidine-6-methanol
    Molecular Formula
    C12H14ClN3O
    Molecular Weight
    251.71  g/mol
    InChI Key
    ADHCEFBFOBDYEC-UHFFFAOYSA-N
    FDA UNII
    D9WK53597V
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol
    2.1.2 InChI
    InChI=1S/C12H14ClN3O/c13-12-14-6-8-5-10(7-17)16(11(8)15-12)9-3-1-2-4-9/h5-6,9,17H,1-4,7H2
    2.1.3 InChI Key
    ADHCEFBFOBDYEC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCC(C1)N2C(=CC3=CN=C(N=C32)Cl)CO
    2.2 Other Identifiers
    2.2.1 UNII
    D9WK53597V
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1374639-77-6

    2. (2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidin-6-yl)methanol

    3. D9wk53597v

    4. Mfcd29072793

    5. 2-chloro-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidine-6-methanol

    6. 2-chloro-7-cyclopentyl-7h-pyrrolo(2,3-d)pyrimidine-6-methanol

    7. 7h-pyrrolo(2,3-d)pyrimidine-6-methanol, 2-chloro-7-cyclopentyl-

    8. (2-chloro-7-cyclopentyl-7h-pyrrolo(2,3-d)pyrimidin-6-yl)methanol

    9. 2-chloro-7-cyclopentyl-6-(hydroxymethyl)-7h-pyrrolo[2,3-d]pyrimidine

    10. 7h-pyrrolo[2,3-d]pyrimidine-6-methanol, 2-chloro-7-cyclopentyl-

    11. Unii-d9wk53597v

    12. Schembl2685547

    13. Dtxsid401182940

    14. Amy12433

    15. Bcp15719

    16. Cs-b1534

    17. Zec63977

    18. Akos030524226

    19. Zinc168659435

    20. Ab86651

    21. Ac-31321

    22. Ds-19945

    23. Sy061056

    24. Db-104507

    25. F53306

    26. (2-chloro-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-6-yl)-methanol

    27. 7h-pyrrolo[2,3-d]pyrimidine-6-methanol, 2-chloro-7-cyclopentyl

    2.4 Create Date
    2015-02-02
    3 Chemical and Physical Properties
    Molecular Weight 251.71 g/mol
    Molecular Formula C12H14ClN3O
    XLogP31.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass251.0825398 g/mol
    Monoisotopic Mass251.0825398 g/mol
    Topological Polar Surface Area50.9 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity273
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1