CAS 830346-47-9 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 830346-47-9, 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione, 1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1h,3h)-dione, T74u83wsc9, 1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-1h-pyrimidine-2,4-dione, Mfcd12546645
Molecular Formula
C13H10F4N2O2
Molecular Weight
302.22  g/mol
InChI Key
IJRKKZXPXBTHER-UHFFFAOYSA-N
FDA UNII
T74U83WSC9

CAS 830346-47-9
1 2D Structure

CAS 830346-47-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
2.1.2 InChI
InChI=1S/C13H10F4N2O2/c1-7-5-11(20)18-12(21)19(7)6-8-9(13(15,16)17)3-2-4-10(8)14/h2-5H,6H2,1H3,(H,18,20,21)
2.1.3 InChI Key
IJRKKZXPXBTHER-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=O)NC(=O)N1CC2=C(C=CC=C2F)C(F)(F)F
2.2 Other Identifiers
2.2.1 UNII
T74U83WSC9
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 830346-47-9

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

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

4. T74u83wsc9

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

6. Mfcd12546645

7. 1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

8. 1-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-6-methyl-2,4(1h,3h)-pyrimidinedione

9. 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1h,3h)-pyrimidinedione

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

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

12. Unii-t74u83wsc9

13. Schembl1641839

14. Dtxsid90621905

15. Zinc35973430

16. Akos015995198

17. Ds-7163

18. Sb18003

19. Ac-31335

20. Sy060979

21. Cs-0161967

22. A901206

23. 1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-1h- Pyrimidine-2,4-dione

24. 1-(2-fluoro-6-trifluoromethylbenzyl)-6-methyl-1h-pyrimidine-2,4-dione

25. 1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylprimidine-2,4(1h,3h)-dione

26. 1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-6-methylpyrimidine-2,4(1h,3h)-dione

2.4 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 302.22 g/mol
Molecular Formula C13H10F4N2O2
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass302.06784021 g/mol
Monoisotopic Mass302.06784021 g/mol
Topological Polar Surface Area49.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity475
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

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty