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CAS 147118-36-3
PharmaCompass
CAS 147118-36-3
Also known as: 147118-36-3, 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsufonyl)amino]pyrimidine-5-yl-methanol, 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyrimidine-5-yl-methanol, N-(4-(4-fluorophenyl)-5-(hydroxymethyl)-6-isopropylpyrimidin-2-yl)-n-methylmethanesulfonamide, Ak-29877, 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methanesulfonylamino) pyrimidin-5-methanol
Molecular Formula
C16H20FN3O3S
Molecular Weight
353.412  g/mol
InChI Key
MSDYDUNHTAYBHV-UHFFFAOYSA-N

1 2D Structure

CAS 147118-36-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide
2.1.2 InChI
InChI=1S/C16H20FN3O3S/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/h5-8,10,21H,9H2,1-4H3
2.1.3 InChI Key
MSDYDUNHTAYBHV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)C1=NC(=NC(=C1CO)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 147118-36-3

2. 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsufonyl)amino]pyrimidine-5-yl-methanol

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

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

5. Ak-29877

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

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

8. 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulfonylamino)pyrimidine-5-methanol

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

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

11. Pubchem23214

12. Schembl2690

13. Dtxsid90431324

14. Molport-005-943-652

15. Ks-00000i5i

16. Ac-447

17. Mfcd08063917

18. Zinc22016627

19. Akos015897401

20. An-6489

21. Rl01857

22. Aj-80684

23. Br-29877

24. He004913

25. He115100

26. Kb-55798

27. Sc-19586

28. Ax8016442

29. Ft-0643399

30. St51053496

31. W3209

32. A23364

33. Rosuvastatin Calcium Intermediate R-1-2

34. Z-1942

35. 118f363

36. C-20703

37. I09-0365

38. J-513515

39. 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-meth

40. [4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulfonylamino)pyrimidin-5-yl]methanol

41. [4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulphonylamino)pyrimidin-5-yl]methanol

42. 4-(4-fluorophenyl)-5-(hydroxymethyl)-6-isopropyl-2-(n-methylmethanesulfonylamino)pyrimidine

43. 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methanesulfonyl Amino) Pyrimidin-5-methanol

44. 4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine-5-methanol

45. 5-(hydroxymethyl)-4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine

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

47. 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl) Amino] Pyrimidine-5-yl-methanol

48. 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl) Amino]pyrimidine-5-yl-methanol

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

50. Methanesulfonamide, N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(1-methylethyl)-2-pyrimidinyl]-n-methyl-

51. N-(4-(4-fluorophenyl)-5-(hydroxymethyl)-6-isopropylpyrimidin-2-yl)-n-methyl Methanesulfonamide

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

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

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

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

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

57. Rosuvastatin Impurity (n-[4-(4-fluorophenyl)-5-hydroxymethyl-6-isopropylpyrimidin-2-yl]-n-methylmethanesulfonamide)

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 353.412 g/mol
Molecular Formula C16H20FN3O3S
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass353.121 g/mol
Monoisotopic Mass353.121 g/mol
Topological Polar Surface Area91.8 A^2
Heavy Atom Count24
Formal Charge0
Complexity503
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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