CAS 152460-10-1

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32 Related Intermediates

Chemistry

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Also known as: 152460-10-1, 6-methyl-n1-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine, Imatinib amine, 2-(5-amino-2-methylanilino)-4-(3-pyridyl)pyrimidine, Jr9rzf7kds, 4-methyl-n3-[4-(3-pyridinyl)-2-pyrimidinyl]-1,3-benzenediamine

Molecular Formula

C₁₆H₁₅N₅

Molecular Weight

277.32 g/mol

InChI Key

QGAIPGVQJVGBIA-UHFFFAOYSA-N

FDA UNII

JR9RZF7KDS

1 2D Structure

CAS 152460-10-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-methyl-3-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine

2.1.2 InChI

InChI=1S/C16H15N5/c1-11-4-5-13(17)9-15(11)21-16-19-8-6-14(20-16)12-3-2-7-18-10-12/h2-10H,17H2,1H3,(H,19,20,21)

2.1.3 InChI Key

QGAIPGVQJVGBIA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=C(C=C1)N)NC2=NC=CC(=N2)C3=CN=CC=C3

2.2 Other Identifiers

2.2.1 UNII

JR9RZF7KDS

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 152460-10-1

2. 6-methyl-n1-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

3. Imatinib Amine

4. 2-(5-amino-2-methylanilino)-4-(3-pyridyl)pyrimidine

5. Jr9rzf7kds

6. 4-methyl-n3-[4-(3-pyridinyl)-2-pyrimidinyl]-1,3-benzenediamine

7. N-(5-amino-o-tolyl)-4-(3-pyridyl)-2-pyrimidinamine

8. Chembl278103

9. 4-methyl-3-n-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine

10. 1,3-benzenediamine, 4-methyl-n3-[4-(3-pyridinyl)-2-pyrimidinyl]-

11. 4-methyl-3-[4-(3-pyridyl)pyrimidin-2-ylamino]aniline

12. N-(5-amino-2-methylphenyl)-4-(3-pyridinyl)-2-pyrimidineamine

13. 1,3-benzenediamine, 4-methyl-n3-(4-(3-pyridinyl)-2-pyrimidinyl)-

14. 4-methyl-n*3*-(4-pyridin-3-yl-pyrimidin-2-yl)-benzene-1,3-diamine

15. 4-methyl-n3-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

16. 4-methyl-n3-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine

17. 6-methyl-n1-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine

18. Imatinib Impurity F

19. Imatinib Amine [usp]

20. Imatinib Ep Impurity F

21. Unii-jr9rzf7kds

22. Schembl2392

23. Dtxsid30433443

24. N-(5-amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidine-amine

25. Imatinib Related Compound F [usp]

26. Act04895

27. Bcp22918

28. Ac-619

29. Bdbm50287097

30. Mfcd09028125

31. Vcc489937

32. Zinc21985310

33. Imatinib Amine [usp Impurity]

34. Akos015888614

35. Ac-2147

36. Ccg-310976

37. Cs-w014568

38. Ds-0284

39. Sb60556

40. 112gi007

41. Am20050827

42. Ft-0647597

43. Ft-0655675

44. Ft-0696298

45. Vu0549314-1

46. 460a101

47. Imatinib Related Compound F [usp Impurity]

48. Q-100177

49. F9995-0188

50. 3-[[4-(3-pyridinyl)pyrimidine-2-yl]amino]-4-methylaniline

51. N-(2-methyl-5-aminophenyl)-4-(3-pyridyl)-2-pyrimidine Amine

52. N-(5-amino-2-methyl Phenyl)-4-(3-pyridyl)-2-pyrimidineamine

53. N-(5-amino-2-methylphenyl)-4-(3-pyridyl)-2- Pyrimidineamine

54. N-(5-amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidine Amine

55. 4-methyl-n~3~-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,3-diamine

56. 4-methyl-n3-[4-(3-piridinyl)-2-pirimidinyl]-1,3-benzendiamine

57. 4-methyl-n3-[4-(3-pyridyl)-2-pyrimidinyl]-1,3-phenylenediamine

58. 6-methyl-n-(4-(pyridine-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

59. 6-methyl-n1-(4-(pyridine-3-yl)pyrimidin-2-yl)benzene-1,2-diamine

60. N-(5-amino-2-methyl Phenyl)-4-(3-pyridinyl)2-pyrimidine-amine

61. N-(5-amino-2-methylphenyl)-4-(3-pyridinyl)-2-pyrimidine-amine

62. 4-methyl-n~3~-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₅N₅
Molecular Weight	277.32 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	277.13274550 g/mol
Monoisotopic Mass	277.13274550 g/mol
Topological Polar Surface Area	76.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	324
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