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    CAS 477600-74-1

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    CAS 477600-74-1
    Also known as: 477600-74-1, N-methyl-n-[(3r,4r)-4-methylpiperidin-3-yl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine, Tofacitinib impurity m, Td92pjw2h4, 1206825-36-6, 7h-pyrrolo(2,3-d)pyrimidin-4-amine, n-methyl-n-((3r,4r)-4-methyl-3-piperidinyl)-
    Molecular Formula
    C13H19N5
    Molecular Weight
    245.32  g/mol
    InChI Key
    XRIARWQZLGCQDM-KOLCDFICSA-N
    FDA UNII
    TD92PJW2H4
    1 2D Structure

    CAS 477600-74-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
    2.1.2 InChI
    InChI=1S/C13H19N5/c1-9-3-5-14-7-11(9)18(2)13-10-4-6-15-12(10)16-8-17-13/h4,6,8-9,11,14H,3,5,7H2,1-2H3,(H,15,16,17)/t9-,11+/m1/s1
    2.1.3 InChI Key
    XRIARWQZLGCQDM-KOLCDFICSA-N
    2.1.4 Canonical SMILES
    CC1CCNCC1N(C)C2=NC=NC3=C2C=CN3
    2.1.5 Isomeric SMILES
    C[C@@H]1CCNC[C@@H]1N(C)C2=NC=NC3=C2C=CN3
    2.2 Other Identifiers
    2.2.1 UNII
    TD92PJW2H4
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 477600-74-1

    2. N-methyl-n-[(3r,4r)-4-methylpiperidin-3-yl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine

    3. Tofacitinib Impurity M

    4. Td92pjw2h4

    5. 1206825-36-6

    6. 7h-pyrrolo(2,3-d)pyrimidin-4-amine, N-methyl-n-((3r,4r)-4-methyl-3-piperidinyl)-

    7. N-methyl-n-((3r,4r)-4-methylpiperidin-3-yl)-7h-pyrrolo(2,3-d)pyrimidin-4-amine

    8. Methyl-((3r,4r)-4-methyl-piperidin-3-yl)-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-amine

    9. Methyl-[(3r,4r)-4-methyl-piperidin-3-yl]-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-amine

    10. Mfcd09878608

    11. Unii-td92pjw2h4

    12. Schembl1120755

    13. Dtxsid70633602

    14. 7h-pyrrolo[2,3-d]pyrimidin-4-amine, N-methyl-n-[(3r,4r)-4-methyl-3-piperidinyl]-, Rel-

    15. Amy40127

    16. Cs-b0706

    17. Mfcd23097212

    18. Zinc35270116

    19. Akos005258732

    20. Akos015899957

    21. N-methyl-n-[(3r,4r)-4-methyl-3-piperidyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine

    22. Ac-24274

    23. Cs-13040

    24. A26940

    25. 600m741

    26. A827336

    27. Au-004/43508412

    28. J-523688

    29. N-methyl-n-(4-methyl-3-piperidinyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine

    30. 1h-pyrrolo[2,3-d]pyrimidin-4-amine,n-methyl-n-[(3r,4r)-4-methyl-3-piperidinyl]-

    31. Methyl-((3r,4r)4-methyl-piperidin-3-yl)-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-amine

    32. Methyl-[(3r,4r)-4-methyl-piperidin-3-yl]-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amine

    33. N-methyl-n-[(3r,4r)-4-methyl Piperidin-3-yl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine

    34. N-methyl-n-[(3r,4r)-4-methyl-3-piperidinyl]-7h-pyrrolo[2,3-d]pyrimidin-4-amine

    2.4 Create Date
    2007-12-06
    3 Chemical and Physical Properties
    Molecular Weight 245.32 g/mol
    Molecular Formula C13H19N5
    XLogP31.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass245.16404563 g/mol
    Monoisotopic Mass245.16404563 g/mol
    Topological Polar Surface Area56.8 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity285
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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        Hunan Warrant Pharmaceutical Co., Ltd. is a high-tech joint-stock company founded in 2001. With 3 production bases and 2 R&D center, which is engaged in manufacture & supply of APIs and Intermediates, Solid Dosage Formulations, Herbal Extracts, most of the APIs and all formulation production lines are new GMP certified. Hunan Warrant Chiral Pharmaceutical Co., Ltd. belongs to Hunan Warrant Parmaceutical Co., located in Ltd. & occupies more than 70 000 square meters, Tongguan Circuliar Economy Industrial Park in Wangcheng. It is a CFDA approved pharmaceutical company, focusing on the APIs & advanced intermediates manufacturing in China.
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          Nanjing Lift Pharmaceutical is a specialized company concentrating on the R&D, production, marketing and technical service of APIs, pharmaceutical intermediates and specialty chemicals. The marketing department is located in Nanjing. We have two GMP facilities in Jiangsu Province and cooperative factories in Zhejiang Province. The leading products range of the company is oncology and anti-diabetes . We also specialize in custom synthesis and contract research which demonstrates our state-of-the-art technology and capacity of synthesis.
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