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

CAS 3680-71-5
1 2D Structure

CAS 3680-71-5

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. 7-deazahypoxanthine

3. Pyrrolo[2,3-d]pyrimidin-4-ol

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

5. 4-hydroxypyrrolo[2,3-d]pyrimidine

6. 3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one

7. 4-hydroxypyrrolopyrimidine

8. 1h-pyrrolo[2,3-d]pyrimidin-4(7h)-one

9. Pyrrolo(2,3-d)pyrimidin-4-one

10. 4-hydroxypyrrolo(2,3-d)pyrimidine

11. 7h-pyrrolo(2,3-d)pyrimidin-4-ol

12. 4-hydroxy-7h-pyrrolo[2,3-d]pyrimidine

13. 1h,4h,7h-pyrrolo[2,3-d]pyrimidin-4-one

14. 1,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one

15. 4h-pyrrolo(2,3-d)pyrimidin-4-one, 1,7-dihydro-

16. 4h-pyrrolo[2,3-d]pyrimidin-4-one, 1,7-dihydro-

17. 1,7-dihydro-4h-pyrrolo(2,3-d)pyrimidin-4-one

18. 7h-pyrrolo[2,3-d]pyrimidine-4-ol

19. 1,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one

20. 7h-pyrrolo[2,3-d]pyrimidin-4(3h)-one

21. 3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

22. 3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one

23. Pyrrolo[2,3-d]pyrimidin-4-one

24. 4h-pyrrolo[2, 1,7-dihydro-

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

26. Nsc 59251

27. 7-deaza-6-hydroxypurine

28. 7-deaza-6-hydroxy Purine

29. Nsc 124164

30. 1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

31. 1h-pyrrolo[2,3-d]pyrimidin-4-ol

32. 3h,4h,7h-pyrrolo[2,3-d]pyrimidin-4-one

33. 7-deazahypoxanthine, 97%

34. Schembl95556

35. Chembl186582

36. Schembl15707647

37. Dtxsid30190281

38. Am947

39. Act04515

40. Act05992

41. Bcp01152

42. Cs-m1987

43. Nsc59251

44. Zinc8638189

45. 4-hydroxypyrrolo [2,3-d]pyrimidine

46. Ab2819

47. Bbl101225

48. Cl3426

49. Mfcd08234923

50. Mfcd08445809

51. Nsc-59251

52. Nsc124164

53. Stl555021

54. Akos005257875

55. Akos005259323

56. Akos006238153

57. Akos015918740

58. Ac-3601

59. Nsc-124164

60. Pb29165

61. Ps-3938

62. 3h-pyrrolo[2,3-d]pyrimidin-4(7h)-on

63. Sy007658

64. Db-013207

65. A6335

66. Bb 0260583

67. C2143

68. D4324

69. Ft-0650381

70. En300-89374

71. 3,7-dihydro-pyrrolo [2, 3-d] Pyrimidine-4-one

72. 680d715

73. 3, 7-dihydro-pyrrolo [2, 3-d] Pyrimidine-4-one

74. W-202520

75. C-(3,4-dichloro-phenyl)-c-phenyl-methylaminehydrochloride

76. 1h-pyrrolo[2,3-d]pyrimidin-4-ol;3h-pyrrolo[2,3-d]pyrimidin-4(7h)-one

77. 7hx

2.3 Create Date
2019-01-15
3 Chemical and Physical Properties
Molecular Weight 135.12 g/mol
Molecular Formula C6H5N3O
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass135.043261791 g/mol
Monoisotopic Mass135.043261791 g/mol
Topological Polar Surface Area57.2 Ų
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

BUILDING BLOCK

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