CAS 20535-83-5

Chemistry

Chemistry

Also known as: 20535-83-5, 6-methoxyguanine, 6-o-methylguanine, 6-methoxy-7h-purin-2-amine, O6-methylguanine, 6-methoxy-9h-purin-2-amine

Molecular Formula

C₆H₇N₅O

Molecular Weight

165.15 g/mol

InChI Key

BXJHWYVXLGLDMZ-UHFFFAOYSA-N

FDA UNII

9B710FV2AE

1 2D Structure

CAS 20535-83-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-methoxy-7H-purin-2-amine

2.1.2 InChI

InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)

2.1.3 InChI Key

BXJHWYVXLGLDMZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=NC(=NC2=C1NC=N2)N

2.2 Other Identifiers

2.2.1 UNII

9B710FV2AE

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 6-methoxyguanine

2. 6-methylguanine

3. O(6)-methylguanine

4. O-(6)-methylguanine

5. O6-methylguanine

2.3.2 Depositor-Supplied Synonyms

1. 20535-83-5

2. 6-methoxyguanine

3. 6-o-methylguanine

4. 6-methoxy-7h-purin-2-amine

5. O6-methylguanine

6. 6-methoxy-9h-purin-2-amine

7. O-(6)-methylguanine

8. 1h-purin-2-amine, 6-methoxy-

9. Purine, 2-amino-6-methoxy-

10. 6-methoxy-1h-purine-2-amine

11. O(sup 6)-methylguanine

12. O-methylguanine

13. Mfcd00133009

14. 9b710fv2ae

15. Chembl226395

16. Nsc37364

17. 6-methoxy-1h-purin-2-amine

18. Nsc-37364

19. O(6)-methylguanine

20. Nsc 37364

21. Unii-9b710fv2ae

22. 6go

23. 9h-purin-2-amine, 6-methoxy-

24. Starbld0004267

25. O6-meg

26. 2-amino-6-methoxy Purine

27. Ncimech_000186

28. 6-o-methylguanine, 97%

29. Dsstox_cid_29365

30. Dsstox_rid_83480

31. Dsstox_gsid_49405

32. Mls001074870

33. Schembl231097

34. Methylguanine, O(6)-

35. Bdbm5470

36. Dtxsid9049405

37. Chebi:20689

38. 6-methoxy-7h-purin-2-amine #

39. Amy3380

40. O6-substituted Guanine Deriv. 1

41. Hms2231d13

42. Hms3370e06

43. Bcp30956

44. Zinc4770610

45. Tox21_202966

46. Bbl101282

47. Ccg-35441

48. Stl555078

49. Akos005257755

50. Akos015914255

51. Cs-w014307

52. Mb00722

53. Ncgc00247006-01

54. Ncgc00260512-01

55. Nci60_003482

56. Smr000568400

57. Sy036172

58. Ts-00127

59. 2-amino-6-methoxypurine;6-o-methylguanine

60. Cas-20535-83-5

61. Db-045270

62. A1151

63. Ft-0638008

64. Ft-0671802

65. Nelarabine Metabolite (methylguanine)

66. 6-o-methylguanine (2-amino-6-methoxypurine)

67. W13855

68. 535a835

69. A814660

70. Q4641549

71. W-201791

72. 6-methoxy-7h-purin-2-amine;2-amino-6-methoxypurine

73. Brd-k99514692-001-06-7

74. 6-o-methylguanine (2-amino-6-methoxypurine), Pharmaceutical Secondary Standard; Certified Reference Material

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₆H₇N₅O
Molecular Weight	165.15 g/mol
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	165.06505986 g/mol
Monoisotopic Mass	165.06505986 g/mol
Topological Polar Surface Area	89.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	166
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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