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Overview of CAS 3680-71-5

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4H-Pyrrolo(2,3-d)pyrimidin-4-one, 1,7-dihydro- (9CI)
PharmaCompass
4H-Pyrrolo(2,3-d)pyrimidin-4-one, 1,7-dihydro- (9CI)
Also known as: 3680-71-5, Pyrrolo[2,3-d]pyrimidin-4-ol, 7-deazahypoxanthine, 3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one, 4-hydroxypyrrolo[2,3-d]pyrimidine, 1h-pyrrolo[2,3-d]pyrimidin-4(7h)-one
Molecular Formula
C6H5N3O
Molecular Weight
135.126  g/mol
InChI Key
FBMZEITWVNHWJW-UHFFFAOYSA-N

1 2D Structure

4H-Pyrrolo(2,3-d)pyrimidin-4-one, 1,7-dihydro- (9CI)

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
2.1.2 InChI
InChI=1S/C6H5N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H,(H2,7,8,9,10)
2.1.3 InChI Key
FBMZEITWVNHWJW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CNC2=C1C(=O)NC=N2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 3680-71-5

2. Pyrrolo[2,3-d]pyrimidin-4-ol

3. 7-deazahypoxanthine

4. 3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one

5. 4-hydroxypyrrolo[2,3-d]pyrimidine

6. 1h-pyrrolo[2,3-d]pyrimidin-4(7h)-one

7. 4-hydroxypyrrolopyrimidine

8. 3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one

9. Pyrrolo(2,3-d)pyrimidin-4-one

10. 4-hydroxy-7h-pyrrolo[2,3-d]pyrimidine

11. 4-hydroxypyrrolo(2,3-d)pyrimidine

12. 1h,4h,7h-pyrrolo[2,3-d]pyrimidin-4-one

13. 7h-pyrrolo(2,3-d)pyrimidin-4-ol

14. Nsc 59251

15. 7-deaza-6-hydroxypurine

16. 1h-pyrrolo[2,3-d]pyrimidin-4-ol

17. Nsc 124164

18. 1,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one

19. 3h,4h,7h-pyrrolo[2,3-d]pyrimidin-4-one

20. Fbmzeitwvnhwjw-uhfffaoysa-n

21. 1,7-dihydro-4h-pyrrolo(2,3-d)pyrimidin-4-one

22. 4h-pyrrolo(2,3-d)pyrimidin-4-one, 1,7-dihydro-

23. 4h-pyrrolo[2,3-d]pyrimidin-4-one, 1,7-dihydro-

24. 7h-pyrrolo[2,3-d]pyrimidine-4-ol

25. Mfcd08234923

26. Ak-24664

27. 7h-pyrrolo[2,3-d]pyrimidin-4(3h)-one

28. 1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

29. 4h-pyrrolo[2,3-d]pyrimidin-4-one, 3,7-dihydro-

30. 1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one

31. Pyrrolo[2,3-d]pyrimidin-4-one

32. 4h-pyrrolo[2, 1,7-dihydro-

33. Zlchem 922

34. Pubchem13054

35. Ac1l3vxw

36. Ac1q6ieq

37. C2143

38. Acmc-1cnd1

39. 7-deaza-6-hydroxy Purine

40. 7-deazahypoxanthine, 97%

41. Ac1q6gp6

42. Ac1q78hu

43. Schembl95556

44. Ksc496i3l

45. Chembl186582

46. Jsp006544

47. Schembl15707647

48. Ctk3j6435

49. Ctk8a0881

50. Ctk8e2387

51. Dtxsid30190281

52. Zld0386

53. Am947

54. Act04515

55. Act05992

56. Bcp01152

57. Cs-m1987

58. Nsc59251

59. Zinc8638189

60. 4-hydroxypyrrolo [2,3-d]pyrimidine

61. Ab2819

62. Anw-28491

63. Anw-51547

64. Bbl101225

65. Ch-674

66. Cl3426

67. Mfcd08445809

68. Nsc-59251

69. Nsc124164

70. Stl555021

71. Akos005257875

72. Akos005259323

73. Akos006238153

74. Akos015918740

75. Ac-3601

76. As07098

77. Fch1433284

78. Hp21680

79. Ls40213

80. Nsc-124164

81. Pb29165

82. Ps-3938

83. Rp01046

84. Rtc-050984

85. Tra0097566

86. 3h,7h-pyrrolo[2,3-d]pyrimidin-4-one

87. 4-hydroxy-4h-pyrrolo[2,3-d]pyrimidine

88. 3h-pyrrolo[2,3-d]pyrimidin-4(7h)-on

89. Aj-57810

90. An-12802

91. Bc679343

92. Br-24664

93. Cj-13309

94. Sc-45362

95. Sy007658

96. Ab0009623

97. Ab0068583

98. Ab0085773

99. Ab1001003

100. Ax8028514

101. Db-013207

102. Ls-139598

103. St2415534

104. Tc-050984

105. Tc-295929

106. A6335

107. Bb 0260583

108. D4324

109. Ft-0650381

110. 3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one

111. 3,7-dihydro-pyrrolo[2,3-d]pyrimidine-4-one

112. En300-89374

113. A-6450

114. C-0122

115. X-1982

116. X-4209

117. Mfcd08445809 (97+%)

118. 3,7-dihydro-4-oxo-4h-pyrrolo[2,3-d]pyrimidine

119. 3,7-dihydro-pyrrolo [2, 3-d] Pyrimidine-4-one

120. 680d715

121. 3, 7-dihydro-pyrrolo [2, 3-d] Pyrimidine-4-one

122. I14-7732

123. S14-0135

124. S14-0631

125. W-202520

126. 4h-pyrrolo(2,3-d)pyrimidin-4-one, 1,7-dihydro- (9ci)

127. 7hx

2.3 Create Date
2019-01-15
3 Chemical and Physical Properties
Molecular Weight 135.126 g/mol
Molecular Formula C6H5N3O
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass135.043 g/mol
Monoisotopic Mass135.043 g/mol
Topological Polar Surface Area57.2 A^2
Heavy Atom Count10
Formal Charge0
Complexity189
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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