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Also known as: 289042-11-1, 5-pyrimidinecarboxylic acid, 4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-, methyl ester, Methyl 4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidine-5-carboxylate, Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethylsulfonamido)pyrimidine-5-carboxylate, Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulfonyl)amino] pyrimidine-5-carboxylate, Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[n-methyl-n-(methylsulfonyl)amino]pyrimidine-5-carboxylate
Molecular Formula
C17H20FN3O4S
Molecular Weight
381.4  g/mol
InChI Key
BYVHIGJQQZGFPU-UHFFFAOYSA-N

289042-11-1
1 2D Structure

289042-11-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidine-5-carboxylate
2.1.2 InChI
InChI=1S/C17H20FN3O4S/c1-10(2)14-13(16(22)25-4)15(11-6-8-12(18)9-7-11)20-17(19-14)21(3)26(5,23)24/h6-10H,1-5H3
2.1.3 InChI Key
BYVHIGJQQZGFPU-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 289042-11-1

2. 5-pyrimidinecarboxylic Acid, 4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-, Methyl Ester

3. Methyl 4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidine-5-carboxylate

4. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethylsulfonamido)pyrimidine-5-carboxylate

5. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(n-methyl-n-methylsulfonyl)amino] Pyrimidine-5-carboxylate

6. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[n-methyl-n-(methylsulfonyl)amino]pyrimidine-5-carboxylate

7. Mfcd08235142

8. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate

9. Schembl1752130

10. Dtxsid90433000

11. Bcp12235

12. Ac-448

13. Akos000280358

14. Sb58346

15. As-19277

16. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(n-methanesulfonyl-n-methylamino)-pyrimidine-5-carboxylate

17. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(n-methanesulphonyl-n-methylamino)pyrimidine-5-carboxylate

18. Methyl4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyrimidine-5-carboxylate

19. G78828

20. J-522243

21. Methyl 4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methanesulfonamido)pyrimidine-5-carboxylate

22. Methyl 4-(4-fluorophenyl)-6isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate

23. 4-(4-fluorophenyl)-6-isopropyl-2-[(methanesulfonyl)methylamino]pyrimidine-5-carboxylic Acid Methyl Ester

24. 4-(4-fluorophenyl)-6-isopropyl-5-methoxycarbonyl-2-(n-methyl-n-methanesul-fonylamino)-pyrimidine

25. 4-(4-fluorophenyl)-6-isopropyl-5-methoxycarbonyl-2-(n-methyl-n-methanesul-fonylamino)pyrimidine

26. 4-(4-fluorophenyl)-6-isopropyl-5-methoxycarbonyl-2-(n-methyl-n-methanesulfonylamino)-pyrimidine

27. 4-(4-fluorophenyl)-6-isopropyl-5-methoxycarbonyl-2-(n-methyl-n-methanesulfonylamino)pyrimidine

28. Methyl 4-(4-fluoro-phenyl)-6-isopropyl-2-(n-methanesulphonyl-n-methyl-amino)pyrimidine-5-carboxylate

29. Methyl 4-(4-fluorophenyl)-2-[(methanesulfonyl)(methyl)amino]-6-(propan-2-yl)pyrimidine-5-carboxylate

30. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(n-methane-sulphonyl-n-methylamino)pyrimidine-5-carboxylate

31. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethanesulfonamido)pyrimidine-5-carboxylate

32. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyrimidine-5-carboxylate(z6)

33. Methyl 4-(4-fluorophenyl)-6-isopropyl-2-[n-methyl-n- (methylsulfonyl)amino]pyrimidine-5-carboxylate

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 381.4 g/mol
Molecular Formula C17H20FN3O4S
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area97.8
Heavy Atom Count26
Formal Charge0
Complexity587
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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