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2D Structure
Also known as: 1150560-59-0, 5-(2-fluoro-3-methoxyphenyl)-1-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-6-methyl-2,4(1h,3h)-pyrimidinedione, 855-578-4, 5-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1h,3h)-dione, 2,4(1h,3h)-pyrimidinedione, 5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-, Mfcd30570283
Molecular Formula
C20H15F5N2O3
Molecular Weight
426.3  g/mol
InChI Key
RKWZHFVZKOVXSK-UHFFFAOYSA-N
FDA UNII
A2J252WX52

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
2.1.2 InChI
InChI=1S/C20H15F5N2O3/c1-10-16(11-5-3-8-15(30-2)17(11)22)18(28)26-19(29)27(10)9-12-13(20(23,24)25)6-4-7-14(12)21/h3-8H,9H2,1-2H3,(H,26,28,29)
2.1.3 InChI Key
RKWZHFVZKOVXSK-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
A2J252WX52
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1150560-59-0

2. 5-(2-fluoro-3-methoxyphenyl)-1-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-6-methyl-2,4(1h,3h)-pyrimidinedione

3. 855-578-4

4. 5-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1h,3h)-dione

5. 2,4(1h,3h)-pyrimidinedione, 5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-

6. Mfcd30570283

7. 5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione

8. A2j252wx52

9. 5-(2-fluoro-3-methoxyphenyl)-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1h,3h)-dione

10. 2,4(1h,3h)-pyrimidinedione, 5-(2-fluoro-3-methoxyphenyl)-1-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-6-methyl-

11. Eelagolix Intermediate

12. Unii-a2j252wx52

13. Schembl1643728

14. C20h15f5n2o3

15. Sb60488

16. Ac-31341

17. As-76986

18. Sy060972

19. Db-185206

20. 5-(2-fluoro-3-methoxy-phenyl)-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-1h-pyrimidine-2,4-dione

21. 5-(2-fluoro-3-methoxyphenyl)-1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

22. 5-(2-fluoro-3-methoxyphenyl)-1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-6-methyl-3h-pyrimidine-2,4-dione

2.4 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 426.3 g/mol
Molecular Formula C20H15F5N2O3
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area58.6
Heavy Atom Count30
Formal Charge0
Complexity711
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1