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CAS 152460-09-8
PharmaCompass
CAS 152460-09-8
Also known as: 152460-09-8, N-(2-methyl-5-nitrophenyl)-4-(pyridin-3-yl)pyrimidin-2-amine, N-(2-methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidine-amine, N-(2-methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidineamine, Chembl20426, N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine
Molecular Formula
C16H13N5O2
Molecular Weight
307.313  g/mol
InChI Key
OJITWRFPRCHSMX-UHFFFAOYSA-N

1 2D Structure

CAS 152460-09-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine
2.1.2 InChI
InChI=1S/C16H13N5O2/c1-11-4-5-13(21(22)23)9-15(11)20-16-18-8-6-14(19-16)12-3-2-7-17-10-12/h2-10H,1H3,(H,18,19,20)
2.1.3 InChI Key
OJITWRFPRCHSMX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NC=CC(=N2)C3=CN=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 152460-09-8

2. N-(2-methyl-5-nitrophenyl)-4-(pyridin-3-yl)pyrimidin-2-amine

3. N-(2-methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidine-amine

4. N-(2-methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidineamine

5. Chembl20426

6. N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine

7. (2-methyl-4-nitro-phenyl)-(4-pyridin-3-yl-pyrimidin-2-yl)-amine

8. Ak-47893

9. 2-methyl-5-nitro-n-[4-(pyridin-3-yl)pyrimidin-2-yl]benzenamine

10. 2-pyrimidinamine, N-(2-methyl-5-nitrophenyl)-4-(3-pyridinyl)-

11. F9995-0184

12. N-(2-methyl-5-nitrophenyl)-4-(pyridin-3-yl)pyrimid

13. N-(2-methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidinamine

14. 2-pyrimidinamine,n-(2-methyl-5-nitrophenyl)-4-(3-pyridinyl)-

15. Schembl1550

16. Acmc-1c66w

17. Ksc527i5d

18. Pyr402

19. Jsp002937

20. Schembl13597737

21. Ctk4c7451

22. Dtxsid50443544

23. Molport-003-849-005

24. Act04899

25. N-(2-methyl-5-nitro-phenyl)-4-pyridin-3-yl-pyrimidin-2-amine

26. Anw-41942

27. Bdbm50287093

28. Mfcd02179269

29. Zinc21298122

30. Akos015909809

31. Ac-2148

32. Acn-026830

33. Mcule-9226886591

34. Qc-1117

35. 112gi008

36. Aj-78163

37. An-14271

38. Bc201550

39. Cj-16818

40. Ds-14539

41. He004555

42. Kb-79028

43. Sc-47708

44. Ab0005259

45. Ax8141046

46. Rt-014098

47. Tl8001128

48. Am20050826

49. Ft-0654432

50. M2584

51. St24031305

52. X2637

53. Vu0549313-1

54. M-8440

55. 460m098

56. A809314

57. I14-3227

58. J-008922

59. 2-(2-methyl-5-nitroanilino)-4-(3-pyridinyl)pyrimidine

60. N-(2-methyl-5-nitrophenyl)-4-(3-pyridyl)-pyrimidine-amine

61. 2-primidinamine,n-(2-methyl-5-nitrophenyl)-4-(3-pyridinyl)

62. 2-pyrimidinamine,n-(2-methyl-5-nitrophenyl)-4-(3-pyridinyl)

63. N-(2-methyl-5-nitro-phenyl)-4-(3-pyridyl)pyrimidin-2-amine

64. N-(2-methyl-5-nitrophenyl)-4-(3-pyridinyl)-2-pydimidineamine

65. N-(2-methyl-5-nitrophenyl)-4-(3-pyridinyl)-2-pyrimidinamine

66. N-(5-nitro-2-methylphenyl)-4-(3-pyridinyl)-2-pyrimidineamine

67. (2-methyl-5-nitro-phenyl)-(4-pyridin-3-yl-pyrimidin-2-yl)-amine

68. (2-methyl-5-nitrophenyl)-(4-(pyridin-3-yl)pyrimidin-2-yl)amine

69. (2-methyl-5-nitrophenyl)[4-(pyridin-3-yl)pyrimidin-2-yl]amine

70. N-(2-methyl-5-nitrophenyl)-4-(3-pyridinyl)-2 Pyrimidine Amine

71. N-(2-methyl-5-nitrophenyl)-4-(3-pyridinyl)-2-pyrimidine Amine

72. N-(2-(1/4)x>>u-5-io>>u+/-(1/2)>>u)-4-(3-ssaa Currency>>u)-2-axa Currency Degrees .

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 307.313 g/mol
Molecular Formula C16H13N5O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass307.107 g/mol
Monoisotopic Mass307.107 g/mol
Topological Polar Surface Area96.5 A^2
Heavy Atom Count23
Formal Charge0
Complexity402
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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