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    CAS 444731-75-3

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 444731-75-3, N-(2-chloro-4-pyrimidinyl)-n,2,3-trimethyl-2h-indazol-6-amine, N-(2-chloropyrimidin-4-yl)-n,2,3-trimethylindazol-6-amine, 2h-indazol-6-amine, n-(2-chloro-4-pyrimidinyl)-n,2,3-trimethyl-, N-(2-chloropyrimidin-4-yl)-n-methyl-2,3-dimethyl-2h-indazol-6-amine, 2h-indazol-6-amine,n-(2-chloro-4-pyrimidinyl)-n,2,3-trimethyl-
    Molecular Formula
    C14H14ClN5
    Molecular Weight
    287.75  g/mol
    InChI Key
    DVGMRZQSSNNTFY-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine
    2.1.2 InChI
    InChI=1S/C14H14ClN5/c1-9-11-5-4-10(8-12(11)18-20(9)3)19(2)13-6-7-16-14(15)17-13/h4-8H,1-3H3
    2.1.3 InChI Key
    DVGMRZQSSNNTFY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C2C=CC(=CC2=NN1C)N(C)C3=NC(=NC=C3)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 444731-75-3

    2. N-(2-chloro-4-pyrimidinyl)-n,2,3-trimethyl-2h-indazol-6-amine

    3. N-(2-chloropyrimidin-4-yl)-n,2,3-trimethylindazol-6-amine

    4. 2h-indazol-6-amine, N-(2-chloro-4-pyrimidinyl)-n,2,3-trimethyl-

    5. N-(2-chloropyrimidin-4-yl)-n-methyl-2,3-dimethyl-2h-indazol-6-amine

    6. 2h-indazol-6-amine,n-(2-chloro-4-pyrimidinyl)-n,2,3-trimethyl-

    7. Schembl589205

    8. Dtxsid70469403

    9. Bcp13045

    10. Cs-b0769

    11. Mfcd12923006

    12. Zinc35928937

    13. Akos015918031

    14. Ccg-358824

    15. Sb18242

    16. Ac-25865

    17. As-71135

    18. Db-038010

    19. Am20090657

    20. Ft-0687641

    21. F11991

    22. J-522901

    23. F9995-1141

    24. (2-chloro-pyrimidin-4-yl)-(2,3-dimethyl-2h-indazol-6-yl)-methyl-amine

    25. 6-[n-(2-chloro-4-pyrimidinyl)methylamino]-2,3-dimethyl-2h-indazole

    26. 6-[n-(2-chloro-4-pyrimidinyl)methylamino]-2,3-dimethyl-2h-indazole, 96%

    27. N-(2-chloropyrimidin-4-yl)-n-methyl-2,3-dimethyl-2h-indazole-6-amine

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 287.75 g/mol
    Molecular Formula C14H14ClN5
    XLogP33.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass287.0937732 g/mol
    Monoisotopic Mass287.0937732 g/mol
    Topological Polar Surface Area46.8 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity342
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1