CAS-5392-28-9

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2 End Use APIs
8 Related Intermediates

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1 Intermediates

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Chemistry

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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

CAS 5392-28-9

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 Formula	C₄H₁₀N₆O₄S
Molecular Weight	238.23 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	0
Exact Mass	238.04842400 g/mol
Monoisotopic Mass	238.04842400 g/mol
Topological Polar Surface Area	213 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	186
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2