CAS 945-24-4

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Also known as: 945-24-4, 2,4-diamino-6-(hydroxymethyl)pteridine, 2,4-diamino-6-hydroxymethylpteridine, 6-pteridinemethanol, 2,4-diamino-, 2,4-pteridinediamine-6-methanol, 2,4-diamino-6-pteridinemethanol

Molecular Formula

C₇H₈N₆O

Molecular Weight

192.18 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-diamino-6-hydroxymethylpteridine

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

5. 2,4-pteridinediamine-6-methanol

6. 2,4-diamino-6-pteridinemethanol

7. (2,4-diamino-6-pteridinyl)methanol

8. 1ru16o4ro0

9. Dc329

10. 6-hydroxymethyl-2,4-pteridinediamine

11. Sd-096950

12. 6-pteridinemethanol, 2,4-diamino-, Monohydrobromide

13. 2,4-diaminopteridine-6-ylmethanol

14. Nsc253944

15. Unii-1ru16o4ro0

16. Einecs 213-412-2

17. Mfcd00006711

18. Nsc 639363

19. (2,4-diamino-pteridin-6-yl)-methanol

20. Oprea1_073806

21. Schembl64019

22. Bidd:gt0843

23. Chembl78951

24. (4-amino-2-imino-2,3-dihydropteridin-6-yl)methanol

25. Zinc39586

26. Dtxsid10915479

27. Amy28811

28. Bcp09303

29. Cs-b0318

30. Ccg-40957

31. Geo-00918

32. Nsc639363

33. Stl372897

34. 2,4-diamino-6-hydroxymethyl Pteridine

35. Akos000276916

36. Nsc 253944

37. (2,4-diamino-6-pteridinyl)methanol #

38. 6-(hydroxymethyl)-2,4-diaminopteridine

39. As-63489

40. Db-019871

41. Ft-0604579

42. Methotrexate Impurity A [ep Impurity]

43. 2,4-diamino-6-(hydroxymethyl)pteridine, 95%

44. Ec 700-274-8

45. A900133

46. Sr-01000631064-1

47. W-200534

48. (2,4-diaminopteridin-6-yl)methanol Monohydrochloride

49. (2-amino-4-imino-3,4-dihydropteridin-6-yl)methanol

50. Akos 213-118;(2,4-diamino-pteridin-6-yl)-methanol

51. Q27252808

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₈N₆O
Molecular Weight	192.18 g/mol
XLogP3	-1.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	192.07595890 g/mol
Monoisotopic Mass	192.07595890 g/mol
Topological Polar Surface Area	124 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	203
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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