CAS 6632-68-4

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Also known as: 6632-68-4, 6-amino-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione, 1,3-dimethyl-4-amino-5-nitrosouracil, 1,3-dimethyl-6-amino-5-nitrosouracil, 4-amino-1,3-dimethyl-5-nitrosouracil, Uracil, 6-amino-1,3-dimethyl-5-nitroso-

Molecular Formula

C₆H₈N₄O₃

Molecular Weight

184.15 g/mol

InChI Key

MGBDANYXBKROBW-UHFFFAOYSA-N

FDA UNII

61X94ZW9M7

1 2D Structure

CAS 6632-68-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-amino-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione

2.1.2 InChI

InChI=1S/C6H8N4O3/c1-9-4(7)3(8-13)5(11)10(2)6(9)12/h7H2,1-2H3

2.1.3 InChI Key

MGBDANYXBKROBW-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

61X94ZW9M7

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 6632-68-4

2. 6-amino-1,3-dimethyl-5-nitrosopyrimidine-2,4-dione

3. 1,3-dimethyl-4-amino-5-nitrosouracil

4. 1,3-dimethyl-6-amino-5-nitrosouracil

5. 4-amino-1,3-dimethyl-5-nitrosouracil

6. Uracil, 6-amino-1,3-dimethyl-5-nitroso-

7. Nsc 41585

8. 2,4(1h,3h)-pyrimidinedione, 6-amino-1,3-dimethyl-5-nitroso-

9. Einecs 229-629-0

10. Nsc 11775

11. Nsc 41832

12. Nsc 42306

13. Brn 0180955

14. Dtxsid8029280

15. Ai3-52908

16. 61x94zw9m7

17. 6-amino-1,3-dimethyl-5-nitroso-2,4(1h,3h)-pyrimidinedione

18. Nsc-11775

19. Nsc-41585

20. Nsc-41832

21. Nsc-42306

22. Nsc-677508

23. Dtxcid709280

24. 2,4(1h,3h)pyrimidinedione, 6-amino-1,3-dimethyl-5-nitroso-

25. 5-25-15-00414 (beilstein Handbook Reference)

26. Nsc-1775

27. 2,4(1h,3h)-pyrimidinone, 6-amino-1,3-dimethyl-5-nitroso-

28. Refchem:540056

29. 229-629-0

30. Danu

31. 6-amino-1,3-dimethyl-5-nitrosopyrimidine-2,4(1h,3h)-dione

32. 58537-55-6

33. Mfcd00023799

34. 6-amino-5-nitroso-1,3-dimethyluracil

35. 6-amino-1,3-dimethyl-5-nitroso-1,2,3,4-tetrahydropyrimidine-2,4-dione

36. Dihydro-6-imino-1,3-dimethyl-3h-pyrimidine-2,4,5-trione 5-oxime

37. 4-amino-1,3-dimethyl-2,6-dioxo-5-nitrosopyrimidine

38. Nsc677508

39. Uracil,3-dimethyl-5-nitroso-

40. 6-amino-1,3-dimethyl-5-nitroso-pyrimidine-2,4-dione

41. Wln: T6nvnvj A1 C1 Eno Fz

42. Nsc99327

43. 4-amino-1,3-dimethyl-5-nitrosouracil Hydrate

44. 2,3h)pyrimidinedione, 6-amino-1,3-dimethyl-5-nitroso-

45. 2,3h)-pyrimidinedione, 6-amino-1,3-dimethyl-5-nitroso-

46. Unii-61x94zw9m7

47. Einecs 261-316-4

48. 6-amino-1,3-dimethyl-5-nitroso-1h-pyrimidine-2,4-dione

49. Mls000762440

50. Schembl4193697

51. Chembl1608694

52. Rxjmqeazfsrrpw-uhfffaoysa-n

53. Dtxsid001176363

54. Hms2809k03

55. 2,4(1h,3h)-pyrimidinedione,6-amino-1,3-dimethyl-5-nitroso-

56. 4-amino-1,3-dimethyl-2,6-dihydroxy-5-nitrosopyrimidine

57. Albb-023589

58. Nsc11775

59. Nsc41585

60. Nsc41832

61. Nsc42306

62. Tox21_200968

63. Sbb013205

64. Stk735575

65. Stl347328

66. 5-(hydroxyimino)-6-imino-1,3-dimethyl-1,3-diazinane-2,4-dione

67. Akos000116016

68. Akos022111094

69. Cs-w000286

70. Fa07965

71. Sb55633

72. Ncgc00246510-01

73. Ncgc00246510-02

74. Ncgc00258521-01

75. 1,3-dimethyl-4-imino-5-isonitro-uracil

76. Ls-07444

77. Smr000437937

78. Sy133093

79. Cas-6632-68-4

80. Db-081829

81. Db-296449

82. Db-297187

83. Ns00036018

84. Ns00053300

85. En300-02787

86. F88115

87. Af-407/01230026

88. Q27263393

89. Z56881215

90. 6-imino-1,3-dimethyl-dihydro-pyrimidine-2,4,5-trione 5-oxime

91. 6-amino-1,3-dimethyl-5-nitroso-1,3-dihydropyrimidine-2,4-dione

92. 6-amino-1,3-dimethyl-5-nitrosopyrimidine-2,4(1h,3h)-dione Hydrate

93. 6-imino-1,3-dimethyldihydro-2,4,5(3h)-pyrimidinetrione 5-oxime

94. Dihydro-6-imino-1,3-dimethyl-2,4,5(3h)-pyrimidinetrione 5-oxime

95. (5z)-5-hydroxyimino-6-imino-1,3-dimethyl-hexahydropyrimidine-2,4-dione

96. Pyrimidine-2,4(1h,3h)-dione, 5-hydroxyimino-6-imino-1,3-dimethyl-

97. (5z)-5-(hydroxyimino)-6-imino-1,3-dimethyldihydropyrimidine-2,4(1h,3h)-dione

98. (z)-5-(hydroxyimino)-6-imino-1,3-dimethyldihydropyrimidine-2,4(1h,3h)-dione

99. 6-amino-1,3-dimethyl-5-nitrosopyrimidine-2,4(1h,3h)-dione, 98% (water<30%)

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₈N₄O₃
Molecular Weight	184.15 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	96.1
Heavy Atom Count	13
Formal Charge	0
Complexity	322
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	1

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