CAS 147118-36-3

Chemistry, 2 End Use API, 12 Related Intermediates

Manufacturers/Suppliers

2 Suppliers

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Also known as: 147118-36-3, 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, N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-propan-2-ylpyrimidin-2-yl]-n-methylmethanesulfonamide, Mfcd08063917, 4-(4-fluorophenyl)-5-(hydroxymethyl)-6-isopropyl-2-(n-methylmethanesulfonylamino)pyrimidine

Molecular Formula

C₁₆H₂₀FN₃O₃S

Molecular Weight

353.4 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-methylsulfonyl)amino]pyrimidine-5-yl-methanol

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

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

5. Mfcd08063917

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

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

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

9. 4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine-5-methanol

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

11. Schembl2690

12. Amy3276

13. Dtxsid90431324

14. Bcp26429

15. Ac-447

16. Zinc22016627

17. Akos015897401

18. Sb58016

19. 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methanesulfonylamino) Pyrimidin-5-methanol

20. S10387

21. Ds-11314

22. Sy046716

23. Cs-0154297

24. Ft-0643399

25. A23364

26. 118f363

27. J-513515

28. [4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulfonylamino)pyrimidin-5-yl]methanol

29. [4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulphonylamino)pyrimidin-5-yl]methanol

30. [4-(4-fluorophenyl0-6-isopropyl-2-(n-methyl-n-methylsulfonyl-amino)pyrimidin-5-yl]methano

31. 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl) Amino] Pyrimidine-5-yl-methanol

32. 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl) Amino]pyrimidine-5-yl-methanol

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

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

35. N-(4-(4-fluorophenyl)-5-(hydroxymethyl)-6-isopropylpyrimidin-2-yl)-n-methylmethanesulfonamide;4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsufonyl)amino]pyrimidine-5-yl-methanol

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

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

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

39. 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 Formula	C₁₆H₂₀FN₃O₃S
Molecular Weight	353.4 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	353.12094084 g/mol
Monoisotopic Mass	353.12094084 g/mol
Topological Polar Surface Area	91.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	503
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