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CAS 147118-37-4
PharmaCompass
CAS 147118-37-4
Also known as: 147118-37-4, N-(4-(4-fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl)-n-methylmethanesulfonamide, 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyrimidinyl-5-yl-formyl, 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methanesulfonylamino)-5-pyrimidinecarboxaldehyde, 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulfonylamino)pyrimidine-5-carboxaldehyde, Ak-40695
Molecular Formula
C16H18FN3O3S
Molecular Weight
351.396  g/mol
InChI Key
WOCOTUDOVSLFOB-UHFFFAOYSA-N

1 2D Structure

CAS 147118-37-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[4-(4-fluorophenyl)-5-formyl-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
2.1.2 InChI
InChI=1S/C16H18FN3O3S/c1-10(2)14-13(9-21)15(11-5-7-12(17)8-6-11)19-16(18-14)20(3)24(4,22)23/h5-10H,1-4H3
2.1.3 InChI Key
WOCOTUDOVSLFOB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)C1=NC(=NC(=C1C=O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 147118-37-4

2. N-(4-(4-fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl)-n-methylmethanesulfonamide

3. 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyrimidinyl-5-yl-formyl

4. 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methanesulfonylamino)-5-pyrimidinecarboxaldehyde

5. 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulfonylamino)pyrimidine-5-carboxaldehyde

6. Ak-40695

7. 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methanesulfonylamino) Pyrimidin-5-carboxaldehyde

8. C16h18fn3o3s

9. N-[4-(4-fluorophenyl)-5-formyl-6-isopropyl-pyrimidin-2-yl]-n-methyl-methanesulfonamide

10. N-[4-(4-fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl]-n-methylmethanesulfonamide

11. Schembl13538

12. Dtxsid50440553

13. Molport-005-943-653

14. Ks-00000i4m

15. Ac-446

16. Mfcd08458342

17. Zinc22016632

18. Akos015896174

19. Am84434

20. An-6880

21. Rl01858

22. Tra0007627

23. N-[4-(4-fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl]-n-methyl-methanesulfonamide

24. Aj-80685

25. Bc227938

26. Cc-16565

27. He004900

28. He115101

29. Sc-25546

30. Ax8016404

31. Db-037933

32. Kb-187063

33. St2410975

34. 4ch-008967

35. F0867

36. Ft-0654059

37. Ft-0658211

38. St24031321

39. St51053193

40. X6289

41. 118f374

42. C-20655

43. 4- -6-isopropyl-2-[ Amino]pyrimidinyl-5-yl-formyl

44. I06-1683

45. I09-0366

46. J-513516

47. 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl--n-met

48. 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulfonylamino)pyrimidine-5-carbaldehyde

49. 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino] Pyriminl-5-yl-formyl

50. 4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine-5-carbaldehyde

51. 4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxaldehyde

52. N-[4-(4-fluoro-phenyl)-5-formyl-6-isopropyl-pyrimidin-2-yl]-n-methyl-methanesulfonamide

53. N-[4-(4-fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl]-n-methylmethanesulfonamide

54. N-[4-(4-fluorophenyl)-5-formyl-6-(propan-2-yl)pyrimidin-2-yl]-n-methylmethanesulfonamide

55. N-[4-(4-fluorophenyl)-5-formyl-6-isopropyl-2-pyrimidinyl]-n-methylmethanesulfonamide

56. N-[4-(4-fluorophenyl)-5-formyl-6-isopropylpyrimidine-2-yl]-n-methylmethanesulfonamide

57. N-[4-(4-fluorophenyl)-5-formyl-6-propan-2-ylpyrimidin-2-yl]-n-methylmethanesulfonamide

58. N-[4-(4-flurophenyl)-5-formyl-6-isopropylpyrimidin-2-yl]-n-methylmethylsulfonamide

59. 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulfonyl Amino)pyrimidine-5-carboxaldehyde

60. 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulfonylamino)-5-pyrimidinecarboxaldehyde

61. 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)a Mino]pyrimidinyl-5-yl-formyl

62. 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino] Pyrimidinyl-5-yl-formyl

63. 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]-5-formylpirimidine

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 351.396 g/mol
Molecular Formula C16H18FN3O3S
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass351.105 g/mol
Monoisotopic Mass351.105 g/mol
Topological Polar Surface Area88.6 A^2
Heavy Atom Count24
Formal Charge0
Complexity529
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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