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    CAS-5392-28-9

    BUILDING BLOCK

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    2D Structure
    Also known as: 5392-28-9, Pyrimidinetetramine sulfate, Pyrimidine-2,4,5,6-tetraamine sulfate, 49647-58-7, Tetraaminopyrimidine sulfate, Pyrimidinetetramine, sulfate (1:1)
    Molecular Formula
    C4H10N6O4S
    Molecular Weight
    238.23  g/mol
    InChI Key
    MQEFDQWUCTUJCP-UHFFFAOYSA-N
    FDA UNII
    53QQY0I99M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    pyrimidine-2,4,5,6-tetramine;sulfuric acid
    2.1.2 InChI
    InChI=1S/C4H8N6.H2O4S/c5-1-2(6)9-4(8)10-3(1)7;1-5(2,3)4/h5H2,(H6,6,7,8,9,10);(H2,1,2,3,4)
    2.1.3 InChI Key
    MQEFDQWUCTUJCP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1(=C(N=C(N=C1N)N)N)N.OS(=O)(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    53QQY0I99M
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 5392-28-9

    2. Pyrimidinetetramine Sulfate

    3. Pyrimidine-2,4,5,6-tetraamine Sulfate

    4. 49647-58-7

    5. Tetraaminopyrimidine Sulfate

    6. Pyrimidinetetramine, Sulfate (1:1)

    7. Pyrimidinetetramine, Sulfate

    8. Pyrimidine-2,4,5,6-tetramine;sulfuric Acid

    9. Tetra-aminopyrimidine Sulfate

    10. 2,4,5,6-tetraaminiopyrimidine Sulfate

    11. Mfcd00012786

    12. 53qqy0i99m

    13. 2,4,5,6-pyrimidinetetramine, Sulfate (1:1)

    14. Nsc-3277

    15. Nsc-227862

    16. 2,4,5,6-tetraaminopyrimidine Sulfate Salt

    17. Pyrimidinetetramine Sulphate

    18. Tetraaminopyrimidine Sulphate

    19. Pyrimidinetetrayltetraamine Sulphate

    20. Pyrimidine-2,4,5,6-tetramine; Sulfuric Acid

    21. Unii-53qqy0i99m

    22. Nsc 3277

    23. Einecs 226-393-0

    24. Einecs 256-407-0

    25. 2,4,5,6-tetraminopyrimidine Sulfate

    26. Pyrimidine, Tetraamino-, Sulfate (1:1)

    27. Ai3-17130

    28. Tetraminopyrimidine Sulfate

    29. 2,4,5,6-pyrimidinetetramine, Sulfate (1:?)

    30. Dsstox_cid_17023

    31. Dsstox_rid_79296

    32. Dsstox_gsid_37023

    33. Pyrimidine, Sulfate (1:1)

    34. Schembl121743

    35. Chembl3185354

    36. Dtxsid0037023

    37. Niosh/uv9738000

    38. Pyrimidine, Tetraamino-, Sulfate

    39. Nsc3277

    40. 2,5,6-tetraaminopyrimidine Sulfate

    41. Act01401

    42. Tox21_202843

    43. 2,4,5,6-tetraaminopyrimidinesulfate

    44. Ac8133

    45. Nsc227862

    46. Akos009157219

    47. Ac-2771

    48. Cs-w018518

    49. Pyrimidine-2,4,5,6-tetraaminexsulfate

    50. Sb60467

    51. Ncgc00260389-01

    52. Pyrimidine-2,4,5,6-tetraamine Xsulfate

    53. As-11871

    54. Bp-12573

    55. Sy002869

    56. Cas-5392-28-9

    57. Tetraaminopyrimidine Sulfate [inci]

    58. Pyrimidine, 2,4,5,6-tetraamino-, Sulfate

    59. Am20100326

    60. Ft-0609777

    61. Ft-0698475

    62. T1462

    63. Uv97380000

    64. 2,4,5,6-pyrimidinetetramine Sulfate (1:1)

    65. 2,4,5,6-tetraamino Pyrimidine Sulfate

    66. 92t289

    67. 2,4,5,6-tetraaminopyrimidine Sulfate Salt, 97%

    68. A800214

    69. A855418

    70. Q-200172

    71. Q-200173

    72. 2,4,5,6-tetraaminopyrimidine Sulfate (1:1)

    73. Q27261126

    74. Z940713454

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 238.23 g/mol
    Molecular Formula C4H10N6O4S
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count0
    Exact Mass238.04842400 g/mol
    Monoisotopic Mass238.04842400 g/mol
    Topological Polar Surface Area213 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity186
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2