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CAS 945-24-4
PharmaCompass
CAS 945-24-4
Also known as: 945-24-4, 2,4-diamino-6-(hydroxymethyl)pteridine, (2,4-diaminopteridin-6-yl)methanol, 6-pteridinemethanol, 2,4-diamino-, 2,4-diamino-6-pteridinemethanol, Unii-1ru16o4ro0
Molecular Formula
C7H8N6O
Molecular Weight
192.182  g/mol
InChI Key
CYNARAWTVHQHDI-UHFFFAOYSA-N
FDA UNII
1RU16O4RO0

1 2D Structure

CAS 945-24-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2,4-diaminopteridin-6-yl)methanol
2.1.2 InChI
InChI=1S/C7H8N6O/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4/h1,14H,2H2,(H4,8,9,10,12,13)
2.1.3 InChI Key
CYNARAWTVHQHDI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(N=C2C(=NC(=NC2=N1)N)N)CO
2.2 Other Identifiers
2.2.1 UNII
1RU16O4RO0
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 945-24-4

2. 2,4-diamino-6-(hydroxymethyl)pteridine

3. (2,4-diaminopteridin-6-yl)methanol

4. 6-pteridinemethanol, 2,4-diamino-

5. 2,4-diamino-6-pteridinemethanol

6. Unii-1ru16o4ro0

7. 2,4-pteridinediamine-6-methanol

8. 2,4-diaminopteridine-6-ylmethanol

9. (2,4-diamino-6-pteridinyl)methanol

10. C7h8n6o

11. Cynarawtvhqhdi-uhfffaoysa-n

12. Dc329

13. 6-hydroxymethyl-2,4-pteridinediamine

14. Geo-00918

15. Sd-096950

16. 6-pteridinemethanol, 2,4-diamino-, Monohydrobromide

17. W-200534

18. Mfcd00006711

19. Nsc253944

20. 2,4-diamino-6-(hydroxymethyl)pteridine Hydrocloride

21. Einecs 213-412-2

22. Nsc 639363

23. Pubchem8650

24. Methotrexate Impurity A

25. Ac1l2dw1

26. Oprea1_073806

27. Schembl64019

28. Akos 213-118

29. Bidd:gt0843

30. Chembl78951

31. 1ru16o4ro0

32. Stock1n-19393

33. Ctk5h6769

34. Zinc39586

35. Molport-000-881-088

36. Cs-b0318

37. Ks-000002bw

38. 3136ah

39. An-706

40. Bbl027603

41. Ccg-40957

42. Nsc639363

43. Stl372897

44. 2,4-diamino-6-hydroxymethyl Pteridine

45. Akos000276916

46. Chm0034690

47. Fch1118844

48. Mcule-3500270962

49. Nsc 253944

50. (2,4-diamino-6-pteridinyl)methanol #

51. (2,4-diamino-pteridin-6-yl)-methanol

52. 6-(hydroxymethyl)-2,4-diaminopteridine

53. (2,4-diaminopteridin-6-yl)methan-1-ol

54. 2,4-diamino-6- (hydroxymethyl)pteridine

55. Aj-08870

56. Ak400386

57. An-48130

58. An-51021

59. He002241

60. He251300

61. Kb-17256

62. Sc-21369

63. St059086

64. Zb001160

65. Db-019871

66. Ft-0604579

67. 2,4-diamino-6-hydroxymethylpteridine, 95 %

68. 2,4-diamino-6-(hydroxymethyl)pteridine, 95%

69. Ec 700-274-8

70. I05-2954

71. I14-4649

72. Sr-01000631064-1

73. (2,4-diaminopteridin-6-yl)methanol Monohydrochloride

74. 2,4-diamino-6-hydroxymethylpteridine Hydrochloride Or Hbr

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 192.182 g/mol
Molecular Formula C7H8N6O
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass192.076 g/mol
Monoisotopic Mass192.076 g/mol
Topological Polar Surface Area124 A^2
Heavy Atom Count14
Formal Charge0
Complexity203
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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