CAS 1480-96-2

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Chemistry

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Also known as: 1480-96-2, 2-methoxy-5-fluorouracil, 5-fluoro-2-methoxy-4(1h)pyrimidinone, 5-fluoro-2-methoxypyrimidin-4-ol, 5-fluoro-4-hydroxy-2-methoxypyrimidine, 2-methoxy-5-fluororacil

Molecular Formula

C₅H₅FN₂O₂

Molecular Weight

144.10 g/mol

InChI Key

VMIFBCPINLZNNI-UHFFFAOYSA-N

1 2D Structure

CAS 1480-96-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-fluoro-2-methoxy-1H-pyrimidin-6-one

2.1.2 InChI

InChI=1S/C5H5FN2O2/c1-10-5-7-2-3(6)4(9)8-5/h2H,1H3,(H,7,8,9)

2.1.3 InChI Key

VMIFBCPINLZNNI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=NC=C(C(=O)N1)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1480-96-2

2. 2-methoxy-5-fluorouracil

3. 5-fluoro-2-methoxy-4(1h)pyrimidinone

4. 5-fluoro-2-methoxypyrimidin-4-ol

5. 5-fluoro-4-hydroxy-2-methoxypyrimidine

6. 2-methoxy-5-fluororacil

7. 5-fluoro-2-methoxy-1h-pyrimidin-6-one

8. 5-fluoro-2-methoxy-3h-pyrimidin-4-one

9. 5-fluoro-2-methoxy-4-pyrimidinone

10. 4(1h)-pyrimidinone, 5-fluoro-2-methoxy-

11. 5-fluoro-2-methoxy-pyrimidin-4-ol

12. 2-o-methyl-5-fluorouracil

13. 138954-92-4

14. Mfcd03265437

15. 1866248-46-5

16. Nsc527067

17. Nsc 527067

18. 5-fluoro-2-methoxypyrimidin-4(1h)-one

19. Amy225

20. Schembl12143815

21. Dtxsid50326323

22. 5-fluoro-2-methoxy-4-pyrimidinol

23. Bcp18961

24. Zinc15217204

25. Akos006223207

26. Akos022174622

27. Akos028109256

28. Cs-w013316

29. Nsc-527067

30. Ps-8988

31. 5-fluoro-2-methoxy-4(1h)-pyrimidinone

32. Ac-24737

33. Sy018378

34. Db-042915

35. F0547

36. Ft-0633588

37. 5-fluoro-2-methoxy-4(1h)pyrimidinone, 97%

38. 5-fluoro-2-methoxy-1,4-dihydropyrimidin-4-one

39. 480f962

40. J-509825

41. Z1354416067

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₅FN₂O₂
Molecular Weight	144.10 g/mol
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	144.03350557 g/mol
Monoisotopic Mass	144.03350557 g/mol
Topological Polar Surface Area	50.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	222
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