CAS 1150560-54-5

Chemistry, 1 End Use API, 6 Related Intermediates

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Also known as: 1150560-54-5, 1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-5-iodo-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-iodo-6-methylpyrimidine-2,4-dione, 1-[2-fluoro-6-(trifluoromethyl)benzyl]-5-iodo-6-methylpyrimidine-2,4(1h,3h)-dione, Mfcd19441362, 1-(2-fluoro-6-trifluoromethyl-benzyl)-5-iodo-6-methyl-1h-pyrimidine-2,4-dione

Molecular Formula

C₁₃H₉F₄IN₂O₂

Molecular Weight

428.12 g/mol

InChI Key

TZBUKGISILNJCR-UHFFFAOYSA-N

1 2D Structure

CAS 1150560-54-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C13H9F4IN2O2/c1-6-10(18)11(21)19-12(22)20(6)5-7-8(13(15,16)17)3-2-4-9(7)14/h2-4H,5H2,1H3,(H,19,21,22)

2.1.3 InChI Key

TZBUKGISILNJCR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=O)NC(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)I

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1150560-54-5

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

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

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

5. Mfcd19441362

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

7. 1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl-5-iodo-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

8. Schembl1642571

9. Dtxsid60654866

10. Amy16487

11. Zinc35653305

12. Akos022172998

13. Sb18004

14. 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-5-iodo-6-methyl-2,4(1h,3h)-pyrimidinedione

15. Ac-31342

16. As-52955

17. Da-15248

18. Sy060980

19. Cs-0052664

20. Ft-0729112

21. P15908

22. A901207

23. 1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-5-iodo-6-methylpyrimidine-2,4(1h,3h)-dione

2.3 Create Date

2009-06-08

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₉F₄IN₂O₂
Molecular Weight	428.12 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	427.96449 g/mol
Monoisotopic Mass	427.96449 g/mol
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	521
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

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CAS Number

1150560-54-5

Intermediate Name

1-[2-Fluoro-6-(Trifluoromethyl)Benz...

About the Company

Established in May 2012, Shandong Loncom Pharmaceutical operates as a fully owned subsidiary of Shandong ...

Established in May 2012, Shandong Loncom Pharmaceutical operates as a fully owned subsidiary of Shandong Bestcomm Pharmaceutical Co., Ltd. Situated in the Qihe Economic Development Zone, Shandong Province, Shandong Loncom has operational API pilot tests and production bases adhering to international standards. With 13 production lines dedicated to oral solid preparations, oral liquid preparations and API, it is actively expanding its preparation workshops for small-volume injections, soft capsules, eye drops, topical medicines and innovative drug R&D centres.