CAS 35011-47-3

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Also known as: 35011-47-3, 39267-74-8, 2,4,5-triamino-6-hydroxypyrimidine sulfate, 2,5,6-triaminopyrimidin-4(3h)-one sulfate, 2,5,6-triaminopyrimidin-4(1h)-one sulphate, 2,5,6-triamino-4-pyrimidinol sulfate

Molecular Formula

C₄H₉N₅O₅S

Molecular Weight

239.21 g/mol

InChI Key

RSKNEEODWFLVFF-UHFFFAOYSA-N

FDA UNII

9SZ7ZX1H0L

1 2D Structure

CAS 35011-47-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sulfuric acid;2,4,5-triamino-1H-pyrimidin-6-one

2.1.2 InChI

InChI=1S/C4H7N5O.H2O4S/c5-1-2(6)8-4(7)9-3(1)10;1-5(2,3)4/h5H2,(H5,6,7,8,9,10);(H2,1,2,3,4)

2.1.3 InChI Key

RSKNEEODWFLVFF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1(=C(N=C(NC1=O)N)N)N.OS(=O)(=O)O

2.2 Other Identifiers

2.2.1 UNII

9SZ7ZX1H0L

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2,4,5-triamino-6-hydroxypyrimidine

2. 2,5,6-triamino-4-pyrimidinone

3. 6-hydroxy-2,4,5-triaminopyrimidine

4. 6-hydroxy-2,4,5-triaminopyrimidine, Dihydrochloride

5. 6-hydroxy-2,4,5-triaminopyrimidine, Sulfate

6. 6-hydroxy-2,4,5-triaminopyrimidine, Sulfate(1:1)

2.3.2 Depositor-Supplied Synonyms

1. 35011-47-3

2. 39267-74-8

3. 2,4,5-triamino-6-hydroxypyrimidine Sulfate

4. 2,5,6-triaminopyrimidin-4(3h)-one Sulfate

5. 2,5,6-triaminopyrimidin-4(1h)-one Sulphate

6. 2,5,6-triamino-4-pyrimidinol Sulfate

7. 2,5,6-triaminopyrimidin-4-ol Sulfate

8. 4(1h)-pyrimidinone, 2,5,6-triamino-, Sulfate

9. Sulfuric Acid;2,4,5-triamino-1h-pyrimidin-6-one

10. 9sz7zx1h0l

11. 2,5,6-triamino-1h-pyrimidin-4-one Sulfate

12. 2,5,6-triamino-4(3h)-pyrimidinone Sulfate

13. 4-hydroxy-2,5,6-triaminopyrimidine Sulfate Salt

14. Sulfuric Acid;2,5,6-triamino-1h-pyrimidin-4-one

15. 2,5,6-triaminopyrimidin-4(3h)-one Sulfate(1:x)

16. Sulfuric Acid; 2,5,6-triamino-1h-pyrimidin-4-one

17. 6-hydroxy-2,4,5-triaminopyrimidine, Sulfate

18. 2,5,6-triamino-4-pyrimidinyl Hydrogen Sulfate

19. Unii-9sz7zx1h0l

20. Sulfuric Acid; 2,5,6-tris(azanyl)-1h-pyrimidin-4-one

21. Einecs 254-393-0

22. Nsc167378

23. Sulfuric Acid; Triaminopyrimidin-4-ol

24. Coreyaldehydebenzoate

25. Schembl94088

26. Mls004491787

27. Schembl21495047

28. Dtxsid80192518

29. 2,6-triamino-4-pyrimidol Sulfate

30. Ac-520

31. Mfcd00012785

32. Akos015892548

33. Akos016000226

34. Akos028108637

35. Nsc-167378

36. Sb55494

37. Sb58650

38. As-13421

39. Smr003288737

40. Sy101073

41. 2,5,6-triamino-4-pyrimidol Sulfate Salt

42. 2,5,6-triamino-4-hydroxypyrimidine Sulfate

43. 2,5,6-triaminopyrimidin-4(3h)-onesulfate

44. 4-hydroxy-2,5,6-triamino-pyrimidin-sulfat

45. 4-hydroxy-2,5,6-triaminopyrimidine Sulfate

46. Db-048712

47. Db-049396

48. 2,4,5-triamino-6-hydroxypyrimidine Sulphate

49. Am20090548

50. Cs-0033764

51. Ft-0609784

52. Ft-0610240

53. T0335

54. F13341

55. 2,5,6-triamino-4(1h)-pyrimidinonesulfate

56. 6-hydroxy-2,4,5-triaminopyrimidine Sulfatehydrate

57. A822504

58. A824496

59. A918698

60. 3-amino-3-(4-trifluoromethyl-phenyl)-propionicacid

61. W-110922

62. W-202434

63. 2,5,6-triamino-4(1h)-pyrimidinone Sulfate (1:1)

64. 2,5,6-triamino-4-pyrimidinol Sulfate [inci]

65. 4(1h)-pyrimidinone,5,6-triamino-, Sulfate (1:1)

66. Q27273115

67. 4(3h)-pyrimidinone, 2,5,6-triamino-, Sulfate

68. 4-hydroxy-2,5,6-triaminopyrimidine Sulfate Salt, Technical, >=97.0% (t)

2.4 Create Date

2019-01-15

3 Chemical and Physical Properties

Molecular Formula	C₄H₉N₅O₅S
Molecular Weight	239.21 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Exact Mass	239.03243958 g/mol
Monoisotopic Mass	239.03243958 g/mol
Topological Polar Surface Area	203 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	321
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