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Also known as: 830346-48-0, 5-bromo-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1h,3h)-dione, 5-bromo-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-1h-pyrimidine-2,4-dione, K6zvl4b7ja, 5-bromo-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1h,3h)-dione, 5-bromo-1-(2-fluoro-6-trifluoromethylbenzyl)-6-methyl-1h-pyrimidine-2,4-dione
Molecular Formula
C13H9BrF4N2O2
Molecular Weight
381.12  g/mol
InChI Key
RDQPTRWUBKZZFJ-UHFFFAOYSA-N
FDA UNII
K6ZVL4B7JA

CAS 830346-48-0
1 2D Structure

CAS 830346-48-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
2.1.2 InChI
InChI=1S/C13H9BrF4N2O2/c1-6-10(14)11(21)19-12(22)20(6)5-7-8(13(16,17)18)3-2-4-9(7)15/h2-4H,5H2,1H3,(H,19,21,22)
2.1.3 InChI Key
RDQPTRWUBKZZFJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C(=O)NC(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)Br
2.2 Other Identifiers
2.2.1 UNII
K6ZVL4B7JA
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 830346-48-0

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

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

4. K6zvl4b7ja

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

6. 5-bromo-1-(2-fluoro-6-trifluoromethylbenzyl)-6-methyl-1h-pyrimidine-2,4-dione

7. Mfcd12546646

8. 5-bromo-1-(2-fluoro-6-(trifluoromethyl)benzyl)-4-hydroxy-6-methylpyrimidin-2(1h)-one

9. 5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione

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

11. 2,4(1h,3h)-pyrimidinedione, 5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-

12. 5-bromo-1-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

13. 5-bromo-1-([2-fluoro-6-(trifluoromethyl)phenyl]methyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

14. Unii-k6zvl4b7ja

15. Schembl1740707

16. Amy16500

17. Zinc35973432

18. Akos025404694

19. Sb17979

20. 2,4(1h,3h)-pyrimidinedione,5-bromo-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-

21. Ac-31343

22. As-36700

23. Sy099629

24. Ds-016951

25. Cs-0050652

26. 5-bromo-1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2.4(1h,3h)-dione

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 381.12 g/mol
Molecular Formula C13H9BrF4N2O2
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass379.97835 g/mol
Monoisotopic Mass379.97835 g/mol
Topological Polar Surface Area49.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity521
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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