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2D Structure
Also known as: 156-83-2, 6-chloropyrimidine-2,4-diamine, 2,4-diamino-6-chloropyrimidine, 2,6-diamino-4-chloropyrimidine, 6-chloro-pyrimidine-2,4-diamine, 6-chloro-2,4-diaminopyrimidine
Molecular Formula
C4H5ClN4
Molecular Weight
144.56  g/mol
InChI Key
QJIUMVUZDYPQRT-UHFFFAOYSA-N
FDA UNII
83NU5F7ZAS

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-chloropyrimidine-2,4-diamine
2.1.2 InChI
InChI=1S/C4H5ClN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)
2.1.3 InChI Key
QJIUMVUZDYPQRT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(N=C(N=C1Cl)N)N
2.2 Other Identifiers
2.2.1 UNII
83NU5F7ZAS
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 156-83-2

2. 6-chloropyrimidine-2,4-diamine

3. 2,4-diamino-6-chloropyrimidine

4. 2,6-diamino-4-chloropyrimidine

5. 6-chloro-pyrimidine-2,4-diamine

6. 6-chloro-2,4-diaminopyrimidine

7. 2,4-pyrimidinediamine, 6-chloro-

8. Minoxidil Ep Impurity B

9. Mfcd00006097

10. 83nu5f7zas

11. Chembl4517551

12. Nsc-8818

13. Einecs 205-863-9

14. Ai3-51949

15. 6-chloropyrimidine-2,4-diamine; Minoxidil Imp. B (ep); Minoxidil Impurity B

16. Nsc8818

17. Caap

18. Minoxidil Impurity 2

19. 4ms0

20. Unii-83nu5f7zas

21. 2,6-diamino-chloropyrimidine

22. Schembl654863

23. 4-chloro 2,6-diaminopyrimidine

24. 6-chloro-2,4-pyrimidinediamine

25. 6-bromochromone-3-carboxylicacid

26. Qjiumvuzdypqrt-uhfffaoysa-

27. 2,6-diamino-4-chloro-pyrimidine

28. 4-chloro-2,6,-diaminopyrimidine

29. 4-chloro-2,6-diamino Pyrimidine

30. 4-chloro-2,6-diamino-pyrimidine

31. 6-chloro-2,4-diamino-pyrimidine

32. Dtxsid30166022

33. Chebi:137231

34. 6-chloro-2, 4-diamino-pyrimidine

35. 6-chloro-2,4-pyrimidinediamine #

36. Minoxidil Impurity B [ep Impurity]

37. Nsc 8818

38. 2-amino-6-chloro-4-pyrimidinylamine

39. Bdbm50532258

40. Pyrimidine, 6-chloro-2,4-diamino-

41. Stl453212

42. 4-chloro-2,6-diamino-1,3-diazine

43. Akos009031355

44. Cs-w007705

45. Ps-4198

46. Sb57284

47. 2,6-diamino-4-chloropyrimidine, 98%

48. Ac-10226

49. Ac-26611

50. Bp-20202

51. Sy001773

52. A3446

53. Am20080407

54. Ft-0621026

55. En300-21451

56. C-3550

57. Ae-861/30098081

58. Q27453431

59. Minoxidil Imp. B (ep): 6-chloropyrimidine-2,4-diamine

60. 6-chloro-pyrimidine-2,4-diamine;2,4-diamino-6-chloropyrimidine

61. Inchi=1/c4h5cln4/c5-2-1-3(6)9-4(7)8-2/h1h,(h4,6,7,8,9)

62. 2zx

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 144.56 g/mol
Molecular Formula C4H5ClN4
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area77.8
Heavy Atom Count9
Formal Charge0
Complexity98.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1