CAS 289042-10-0

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2 End Use APIs
25 Related Intermediates

Chemistry

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Also known as: 289042-10-0, N-(5-((diphenylphosphoryl)methyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-n-methylmethanesulfonamide, N-[5-(diphenylphosphorylmethyl)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-yl]-n-methylmethanesulfonamide, Rosuvastatin intermediates zd9, Methanesulfonamide, n-[5-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-n-methyl-, Diphenyl[4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethylsulfonyl)amino-pyrimidin-5-yl-methyl]phosph

Molecular Formula

C₂₈H₂₉FN₃O₃PS

Molecular Weight

537.6 g/mol

InChI Key

CVRDGWDBQZPJJI-UHFFFAOYSA-N

1 2D Structure

CAS 289042-10-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C28H29FN3O3PS/c1-20(2)26-25(19-36(33,23-11-7-5-8-12-23)24-13-9-6-10-14-24)27(21-15-17-22(29)18-16-21)31-28(30-26)32(3)37(4,34)35/h5-18,20H,19H2,1-4H3

2.1.3 InChI Key

CVRDGWDBQZPJJI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)C1=NC(=NC(=C1CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)F)N(C)S(=O)(=O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 289042-10-0

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

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

4. Rosuvastatin Intermediates Zd9

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

6. Diphenyl[4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethylsulfonyl)amino-pyrimidin-5-yl-methyl]phosph

7. Cid 9937035

8. N-[5-(diphenyl-phosphinoylmethyl)-4-(4-fluoro-phenyl)-6-isopropyl-pyrimidin-2-yl]-n-methyl-methanesulfonamide

9. Schembl247277

10. Amy3280

11. Dtxsid20433038

12. Bcp14872

13. Mfcd09839448

14. Zinc72399762

15. Akos015918318

16. Ac-3407

17. As-75021

18. Cs-0154296

19. Ft-0655698

20. J3.653.604g

21. A24854

22. D82376

23. 042d100

24. 5-[(diphenylphosphinyl)methyl]4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine

25. Diphenyl [2-(n-methyl-n-methanesulfonylamino)-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-ylmethyl]phosphine Oxide

26. Diphenyl[2-(n-methyl-n-methanesulfonylamino)-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-ylmethyl]phosphine Oxide

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

28. Methanesulfonamide, N-[5-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-n-methyl;4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino] Pyriminl-5-yl- Phosphine Oxide;n-(5-((diphenylphosphoryl)methyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-n-methylmethanesulfonamide

29. N-[5-(diphenylphosphinoylmethyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl]-n-methylmethanesulphonamide

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

31. N-[5-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-6-(1-methylethyl)-2-pyrimidinyl]-n-methylmethanesulfonamide

32. N-{5-[(diphenylphosphoroso)methyl]-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidin-2-yl}-n-methylmethanesulfonamide

33. N-{5-[(diphenylphosphoryl)methyl]-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidin-2-yl}-n-methylmethanesulfonamide

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₂₉FN₃O₃PS
Molecular Weight	537.6 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	537.16512813 g/mol
Monoisotopic Mass	537.16512813 g/mol
Topological Polar Surface Area	88.6 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	856
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