CAS 799842-07-2

DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Virtual Booth

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 11 Related Intermediates

1 Suppliers
1 End Use APIs
11 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 799842-07-2, N-[5-bromomethyl-4-(4-fluorophenyl)-6-isopropylpyrimidine-2-yl]-n-methylmethane sulfonamide, N-[5-(bromomethyl)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-n-methylmethanesulfonamide, N-(5-(bromomethyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-n-methylmethanesulfonamide, N-[5-bromomethyl-4-(4-fluorophenyl)-6-isopropylpyrimidine-2-yl]-n-methylmethanesulfonamide, N-[5-bromomethyl-4-(4-fluorophenyl)-6-isopropropyl-pyrimidine-2-yl]-n-methylmethane sulfonamide

Molecular Formula

C₁₆H₁₉BrFN₃O₂S

Molecular Weight

416.3 g/mol

InChI Key

PHEVHIWIKJRWDB-UHFFFAOYSA-N

1 2D Structure

CAS 799842-07-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[5-(bromomethyl)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-N-methylmethanesulfonamide

2.1.2 InChI

InChI=1S/C16H19BrFN3O2S/c1-10(2)14-13(9-17)15(11-5-7-12(18)8-6-11)20-16(19-14)21(3)24(4,22)23/h5-8,10H,9H2,1-4H3

2.1.3 InChI Key

PHEVHIWIKJRWDB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)C1=NC(=NC(=C1CBr)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 799842-07-2

2. N-[5-bromomethyl-4-(4-fluorophenyl)-6-isopropylpyrimidine-2-yl]-n-methylmethane Sulfonamide

3. N-[5-(bromomethyl)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-n-methylmethanesulfonamide

4. N-(5-(bromomethyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-n-methylmethanesulfonamide

5. N-[5-bromomethyl-4-(4-fluorophenyl)-6-isopropylpyrimidine-2-yl]-n-methylmethanesulfonamide

6. N-[5-bromomethyl-4-(4-fluorophenyl)-6-isopropropyl-pyrimidine-2-yl]-n-methylmethane Sulfonamide

7. N-[5-(bromomethyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl]-n-methylmethanesulfonamide

8. Schembl246597

9. Amy3277

10. Dtxsid60586274

11. Bcp10918

12. Mfcd08694308

13. Zinc35635760

14. Akos000280338

15. Ac-3406

16. Ds-15541

17. Db-037962

18. Cs-0165318

19. Ft-0653120

20. A24852

21. 842b072

22. N-(4-(4-fluorophenyl)-5-(bromomethyl)-6-isopropylpyrimidin-2-yl)-n-methylmethanesulfonamide

23. N-[5-bromomethyl-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-2-yl]-n-methyl-methanesulfonamide

24. Methanesulfonamide, N-[5-(bromomethyl)-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-n-methyl-

25. N-(5-(bromomethyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-n-methylmethanesulfonamide? (rosuvastatin Impurity Pound(c)

26. N-[4-(4-fluorophenyl)-5-(bromomethyl)-6-isopropylpyrimidine-2-yl]-n-methylmethanesulfonamide

27. N-[5-(bromomethyl)-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidin-2-yl]-n-methylmethanesulfonamide

28. N-[5-bromomethyl-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-n-methyl-methanesulfonamide;5-(bromomethyl)-4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine;n-[5-bromomethyl-4-(4-fluorophenyl)-6-isopropylpyrimidine-2-yl]-n-methylmethane Sulfonamide

2.3 Create Date

2007-07-31

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₉BrFN₃O₂S
Molecular Weight	416.3 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	415.03654 g/mol
Monoisotopic Mass	415.03654 g/mol
Topological Polar Surface Area	71.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	506
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