CAS 1904-98-9

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Also known as: 1904-98-9, 7h-purine-2,6-diamine, 2-aminoadenine, 9h-purine-2,6-diamine, 1h-purine-2,6-diamine, 26-diaminopurine

Molecular Formula

C₅H₆N₆

Molecular Weight

150.14 g/mol

InChI Key

MSSXOMSJDRHRMC-UHFFFAOYSA-N

FDA UNII

49P95BAU4Z

2,6-Diaminopurine is one of a number of organic compounds that share a similar purine structure and possess antiviral and antitumor properties. 2,6-Diaminopurine nucleosides are versatile synthetic precursors for specific N-6 modifications of antiviral and antitumor agents. (NCI04)

1 2D Structure

CAS 1904-98-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7H-purine-2,6-diamine

2.1.2 InChI

InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)

2.1.3 InChI Key

MSSXOMSJDRHRMC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=NC2=NC(=NC(=C2N1)N)N

2.2 Other Identifiers

2.2.1 UNII

49P95BAU4Z

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2,6-diaminopurine Sulfate

2. 2-aminoadenine

2.3.2 Depositor-Supplied Synonyms

1. 1904-98-9

2. 7h-purine-2,6-diamine

3. 2-aminoadenine

4. 9h-purine-2,6-diamine

5. 1h-purine-2,6-diamine

6. 26-diaminopurine

7. 2,6-diamino-9h-purine

8. Purine, 2,6-diamino-

9. Nsc 743

10. Sq 21065

11. X 79

12. 2,6-diamino-purin-9-yl

13. 2,6-diaminopurine, 98%

14. 49p95bau4z

15. Chembl388596

16. Chebi:40235

17. Nsc-743

18. 133762-79-5

19. 6ap

20. Purine-2,6-diyldiamine

21. Ccris 923

22. Purine-2,6-diamine

23. Mfcd00213668

24. Einecs 217-605-2

25. Unii-49p95bau4z

26. Ai3-25010

27. Ccris 3903

28. Group4_adenines

29. 2-6-diaminopurine

30. Purine,6-diamino-

31. Purine, 2, 6-diamino-

32. Oprea1_670021

33. Schembl24052

34. 9h-purine-2,6-diamine #

35. Mls001066366

36. Diaminopurine, 2,6-

37. Nsc743

38. Dtxsid0062052

39. Schembl16513167

40. 2,6-diaminopurine [mi]

41. (2-amino-7h-purin-6-yl)-amine

42. Hms2267n10

43. Bcp30955

44. Bdbm50208879

45. Mfcd00047146

46. Mfcd00071537

47. Akos003368184

48. Akos015896933

49. Akos028109333

50. 9h-purine-2,6-diamine0.5m H2so4

51. Ac-8693

52. Am81387

53. Cs-w014347

54. Gs-3048

55. Hy-w013631

56. 9h-purine-2,6-diamine;2-aminoadenine

57. Bp-13206

58. Smr000112503

59. Sy036886

60. Ts-00060

61. Db-015922

62. D1625

63. Ns00026227

64. En300-101012

65. A813410

66. Ac-907/34116038

67. Q-200204

68. Q4596802

69. W-203543

70. Z1255486094

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₅H₆N₆
Molecular Weight	150.14 g/mol
XLogP3	-0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	107
Heavy Atom Count	11
Formal Charge	0
Complexity	150
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