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2D Structure
Also known as: 1225037-39-7, Pqr309, Pi3k-in-2, Pqr-309, 5-(4,6-dimorpholino-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine, Ncb5
Molecular Formula
C17H20F3N7O2
Molecular Weight
411.4  g/mol
InChI Key
ADGGYDAFIHSYFI-UHFFFAOYSA-N
FDA UNII
6Z3QHB00LB

BIMIRALISIB is a small molecule drug with a maximum clinical trial phase of II (across all indications) and has 5 investigational indications.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
2.1.2 InChI
InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)
2.1.3 InChI Key
ADGGYDAFIHSYFI-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
6Z3QHB00LB
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1225037-39-7

2. Pqr309

3. Pi3k-in-2

4. Pqr-309

5. 5-(4,6-dimorpholino-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine

6. Ncb5

7. Bimiralisib [inn]

8. Bimiralisib [usan]

9. Bimiralisib [who-dd]

10. Bimiralisib (pqr309)

11. 6z3qhb00lb

12. Nc-b5

13. Chembl4084907

14. 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine

15. 2-pyridinamine, 5-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-

16. 5-[bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine

17. Mfcd28902193

18. Pqr309; Bimiralisib

19. Pqr-309(bimiralisib)

20. Bimiralisib (usan/inn)

21. Pqr-309(bimiralisib)?

22. Unii-6z3qhb00lb

23. Gtpl8383

24. Schembl1309049

25. Pqr309; Bimiralisib Free Base

26. Pqr 309

27. Bimiralisib [usan:inn:who-dd]

28. Bcp15887

29. Ex-a2018

30. Bdbm50240975

31. Nsc785117

32. S8738

33. Akos027439949

34. Cs-4672

35. Db14846

36. Nsc-785117

37. Ac-31532

38. As-49856

39. Hy-12868

40. D11440

41. N11425

42. Brd-k62374002-001-01-5

43. Q27088437

44. 5-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)-2-pyridinamine

45. 5-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine

46. A3w

2.4 Create Date
2012-08-19
3 Chemical and Physical Properties
Molecular Weight 411.4 g/mol
Molecular Formula C17H20F3N7O2
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count3
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area103
Heavy Atom Count29
Formal Charge0
Complexity506
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1