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    CAS 152460-10-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 152460-10-1, 6-methyl-n1-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine, Imatinib amine, 2-(5-amino-2-methylanilino)-4-(3-pyridyl)pyrimidine, Jr9rzf7kds, 4-methyl-n3-[4-(3-pyridinyl)-2-pyrimidinyl]-1,3-benzenediamine
    Molecular Formula
    C16H15N5
    Molecular Weight
    277.32  g/mol
    InChI Key
    QGAIPGVQJVGBIA-UHFFFAOYSA-N
    FDA UNII
    JR9RZF7KDS
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-methyl-3-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine
    2.1.2 InChI
    InChI=1S/C16H15N5/c1-11-4-5-13(17)9-15(11)21-16-19-8-6-14(20-16)12-3-2-7-18-10-12/h2-10H,17H2,1H3,(H,19,20,21)
    2.1.3 InChI Key
    QGAIPGVQJVGBIA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C(C=C1)N)NC2=NC=CC(=N2)C3=CN=CC=C3
    2.2 Other Identifiers
    2.2.1 UNII
    JR9RZF7KDS
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 152460-10-1

    2. 6-methyl-n1-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

    3. Imatinib Amine

    4. 2-(5-amino-2-methylanilino)-4-(3-pyridyl)pyrimidine

    5. Jr9rzf7kds

    6. 4-methyl-n3-[4-(3-pyridinyl)-2-pyrimidinyl]-1,3-benzenediamine

    7. N-(5-amino-o-tolyl)-4-(3-pyridyl)-2-pyrimidinamine

    8. Chembl278103

    9. 4-methyl-3-n-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine

    10. 1,3-benzenediamine, 4-methyl-n3-[4-(3-pyridinyl)-2-pyrimidinyl]-

    11. 4-methyl-3-[4-(3-pyridyl)pyrimidin-2-ylamino]aniline

    12. N-(5-amino-2-methylphenyl)-4-(3-pyridinyl)-2-pyrimidineamine

    13. 1,3-benzenediamine, 4-methyl-n3-(4-(3-pyridinyl)-2-pyrimidinyl)-

    14. 4-methyl-n*3*-(4-pyridin-3-yl-pyrimidin-2-yl)-benzene-1,3-diamine

    15. 4-methyl-n3-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

    16. 4-methyl-n3-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine

    17. 6-methyl-n1-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine

    18. Imatinib Impurity F

    19. Imatinib Amine [usp]

    20. Imatinib Ep Impurity F

    21. Unii-jr9rzf7kds

    22. Schembl2392

    23. Dtxsid30433443

    24. N-(5-amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidine-amine

    25. Imatinib Related Compound F [usp]

    26. Act04895

    27. Bcp22918

    28. Ac-619

    29. Bdbm50287097

    30. Mfcd09028125

    31. Vcc489937

    32. Zinc21985310

    33. Imatinib Amine [usp Impurity]

    34. Akos015888614

    35. Ac-2147

    36. Ccg-310976

    37. Cs-w014568

    38. Ds-0284

    39. Sb60556

    40. 112gi007

    41. Am20050827

    42. Ft-0647597

    43. Ft-0655675

    44. Ft-0696298

    45. Vu0549314-1

    46. 460a101

    47. Imatinib Related Compound F [usp Impurity]

    48. Q-100177

    49. F9995-0188

    50. 3-[[4-(3-pyridinyl)pyrimidine-2-yl]amino]-4-methylaniline

    51. N-(2-methyl-5-aminophenyl)-4-(3-pyridyl)-2-pyrimidine Amine

    52. N-(5-amino-2-methyl Phenyl)-4-(3-pyridyl)-2-pyrimidineamine

    53. N-(5-amino-2-methylphenyl)-4-(3-pyridyl)-2- Pyrimidineamine

    54. N-(5-amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidine Amine

    55. 4-methyl-n~3~-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine

    56. 4-methyl-n3-[4-(3-piridinyl)-2-pirimidinyl]-1,3-benzendiamine

    57. 4-methyl-n3-[4-(3-pyridyl)-2-pyrimidinyl]-1,3-phenylenediamine

    58. 6-methyl-n-(4-(pyridine-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

    59. 6-methyl-n1-(4-(pyridine-3-yl)pyrimidin-2-yl)benzene-1,2-diamine

    60. N-(5-amino-2-methyl Phenyl)-4-(3-pyridinyl)2-pyrimidine-amine

    61. N-(5-amino-2-methylphenyl)-4-(3-pyridinyl)-2-pyrimidine-amine

    62. 4-methyl-n~3~-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 277.32 g/mol
    Molecular Formula C16H15N5
    XLogP32.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass277.13274550 g/mol
    Monoisotopic Mass277.13274550 g/mol
    Topological Polar Surface Area76.7 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity324
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1