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    Ormetoprim

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 6981-18-6, Ormethoprim, Ormetorprim, 2,4-diamino-5-(6-methylveratryl)pyrimidine, Ro 5-9754, Component of rofenaid
    Molecular Formula
    C14H18N4O2
    Molecular Weight
    274.32  g/mol
    InChI Key
    KEEYRKYKLYARHO-UHFFFAOYSA-N
    FDA UNII
    M3EFS94984
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine
    2.1.2 InChI
    InChI=1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)
    2.1.3 InChI Key
    KEEYRKYKLYARHO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C(C=C1CC2=CN=C(N=C2N)N)OC)OC
    2.2 Other Identifiers
    2.2.1 UNII
    M3EFS94984
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2,4-diamino-5-(6-methylveratryl)pyrimidine

    2.3.2 Depositor-Supplied Synonyms

    1. 6981-18-6

    2. Ormethoprim

    3. Ormetorprim

    4. 2,4-diamino-5-(6-methylveratryl)pyrimidine

    5. Ro 5-9754

    6. Component Of Rofenaid

    7. Ormetroprim

    8. 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine

    9. 2,4-pyrimidinediamine, 5-[(4,5-dimethoxy-2-methylphenyl)methyl]-

    10. 5-(4,5-dimethoxy-2-methylbenzyl)-2,4-diaminopyrimidine

    11. 5-(4,5-dimethoxy-2-methylbenzyl)pyrimidine-2,4-diamine

    12. Nsc-95072

    13. M3efs94984

    14. Nsc95072

    15. Ro-59754

    16. Ncgc00167523-01

    17. Ormetoprim 100 Microg/ml In Acetonitrile

    18. Ro-5-9754

    19. 2,4-pyrimidinediamine, 5-((4,5-dimethoxy-2-methylphenyl)methyl)-

    20. Dsstox_cid_26689

    21. Dsstox_rid_81823

    22. Dsstox_gsid_46689

    23. Ormetoprima

    24. Ormetoprime

    25. Ormetoprimum

    26. 5-[(4,5-dimethoxy-2-methyl-phenyl)methyl]pyrimidine-2,4-diamine

    27. Smr000466374

    28. Cas-6981-18-6

    29. Ormetoprim [usan:inn]

    30. Nsc 95072

    31. Ormetoprime [inn-french]

    32. Ormetoprimum [inn-latin]

    33. Ormetoprima [inn-spanish]

    34. Unii-m3efs94984

    35. Einecs 230-246-6

    36. Ormetoprim [inn]

    37. Ormetoprim [jan]

    38. Ormetoprim (usan/inn)

    39. Ormetoprim [usan]

    40. Ormetoprim [mart.]

    41. Pyrimidine, 2,4-diamino-5-(6-methylveratryl)-

    42. Nciopen2_006334

    43. Schembl93810

    44. Zinc562

    45. Mls000759503

    46. Mls001424067

    47. Chembl494760

    48. Ormetoprim [green Book]

    49. 2,4-diamino-5-(4,5-dimethoxy-2-methylbenzyl)pyrimidin

    50. Dtxsid1046689

    51. Chebi:94553

    52. Cv564

    53. Hms2051k20

    54. Hms3393k20

    55. Bcp06018

    56. Tox21_112520

    57. Bdbm50413401

    58. Mfcd00057747

    59. S5290

    60. Akos015917221

    61. Tox21_112520_1

    62. Ccg-100900

    63. Nc00150

    64. Sb60507

    65. Ncgc00167523-02

    66. Ncgc00167523-03

    67. As-71719

    68. Bo164180

    69. Db-055351

    70. Hy-121466

    71. Sd-051044

    72. Am20041036

    73. Cs-0082144

    74. Ft-0630358

    75. O0424

    76. Pyrimidine,4-diamino-5-(6-methylveratryl)-

    77. D05273

    78. T72844

    79. 2, 5-[(4,5-dimethoxy-2-methylphenyl)methyl]-

    80. Ab00639990-08

    81. 981o186

    82. A836658

    83. W-104583

    84. Q27166391

    85. 2,4-diamino-5-(4,5-dimethoxy-2-methylbenzyl)pyrimidine

    86. 5-(4,5-dimethoxy-2-methylbenzyl)-2,4-pyrimidinediamine

    87. 2,4-diamino-5-(4,5-dimethoxy-2-methylbenzyl) Pyrimidine

    88. 5-(4,5-dimethoxy-2-methyl-benzyl)-pyrimidine-2,4-diamine

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 274.32 g/mol
    Molecular Formula C14H18N4O2
    XLogP31.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass274.14297583 g/mol
    Monoisotopic Mass274.14297583 g/mol
    Topological Polar Surface Area96.3 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity305
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1