CAS 152460-09-8

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4 End Use APIs
40 Related Intermediates

Chemistry

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Also known as: 152460-09-8, N-(2-methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidine-amine, N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine, N-(2-methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidineamine, Chembl20426, 2-methyl-5-nitro-n-[4-(pyridin-3-yl)pyrimidin-2-yl]benzenamine

Molecular Formula

C₁₆H₁₃N₅O₂

Molecular Weight

307.31 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-(3-pyridyl)-2-pyrimidine-amine

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

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

5. Chembl20426

6. 2-methyl-5-nitro-n-[4-(pyridin-3-yl)pyrimidin-2-yl]benzenamine

7. 2-pyrimidinamine, N-(2-methyl-5-nitrophenyl)-4-(3-pyridinyl)-

8. (2-methyl-4-nitro-phenyl)-(4-pyridin-3-yl-pyrimidin-2-yl)-amine

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

10. Imatinib Related Compound

11. Schembl1550

12. Schembl13597737

13. Dtxsid50443544

14. Act04899

15. Bcp12559

16. Bdbm50287093

17. Mfcd02179269

18. Vcc987289

19. Zinc21298122

20. Akos015909809

21. Ac-2148

22. Sb58381

23. 112gi008

24. Ds-14539

25. Am20050826

26. Cs-0153572

27. Ft-0654432

28. M2584

29. Vu0549313-1

30. 460m098

31. A809314

32. J-008922

33. 2-(2-methyl-5-nitroanilino)-4-(3-pyridinyl)pyrimidine

34. F9995-0184

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

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

37. (2-methyl-5-nitro-phenyl)-(4-pyridin-3-yl-pyrimidin-2-yl)-amine

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

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

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

41. N-(2-methyl-5-nitro-phenyl)-4-(3-pyridyl)pyrimidin-2-amine;n-(2-methyl-5-nitrophenyl)-4-(pyridin-3-yl)pyrimidin-2-amine

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₃N₅O₂
Molecular Weight	307.31 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	307.10692467 g/mol
Monoisotopic Mass	307.10692467 g/mol
Topological Polar Surface Area	96.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	402
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