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Technical details about CAS-56177-80-1, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 56177-80-1, 2-ethoxy-5-fluoropyrimidin-4(3h)-one, 2-ethoxy-5-fluoro-1h-pyrimidin-4-one, 2-ethoxy-5-fluoro-4(3h)-pyrimidinone, 5-fluoro-2-ethoxy-4(1h)pyrimidinone, 2-ethoxy-5-fluoro-1h-pyrimidin-6-one
Molecular Formula
C6H7FN2O2
Molecular Weight
158.13  g/mol
InChI Key
XREDGJFKPWBNRQ-UHFFFAOYSA-N
FDA UNII
15FS54053U

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-ethoxy-5-fluoro-1H-pyrimidin-6-one
2.1.2 InChI
InChI=1S/C6H7FN2O2/c1-2-11-6-8-3-4(7)5(10)9-6/h3H,2H2,1H3,(H,8,9,10)
2.1.3 InChI Key
XREDGJFKPWBNRQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=NC=C(C(=O)N1)F
2.2 Other Identifiers
2.2.1 UNII
15FS54053U
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 56177-80-1

2. 2-ethoxy-5-fluoropyrimidin-4(3h)-one

3. 2-ethoxy-5-fluoro-1h-pyrimidin-4-one

4. 2-ethoxy-5-fluoro-4(3h)-pyrimidinone

5. 5-fluoro-2-ethoxy-4(1h)pyrimidinone

6. 2-ethoxy-5-fluoro-1h-pyrimidin-6-one

7. Fluorouracil Impurity F

8. 2-ethoxy-5-fluoro-4-pyrimidinone

9. 5-fluoro-2-ethoxy-4-pyrimidinone

10. 2-ethoxy-5-fluoro-4-hydroxypyrimidine

11. Dtxsid8057776

12. 15fs54053u

13. 2-ethoxy-5-fluoropyrimidin-4(1h)-one (2-ethoxy-5-fluorouracil)

14. Unii-15fs54053u

15. Einecs 260-029-1

16. 2-ethoxy-5-fluoropyrimidin-4(1h)-one

17. Amy222

18. Chembl3560726

19. Dtxcid9031565

20. Tox21_113748

21. Mfcd03265436

22. Akos006222274

23. Akos015838992

24. Akos015892540

25. 2-ethoxy-5-fluoro-4(1h)-pyrimidinone

26. Flucytosine Impurity B [who-ip]

27. Ncgc00253618-01

28. Ac-24736

29. As-15513

30. 2-ethoxy-5-fluoranyl-1h-pyrimidin-6-one

31. 2-ethoxy-5-fluoro-pyrimidin-4-ol

32. Cas-56177-80-1

33. Db-021016

34. Cs-0107128

35. E0684

36. Flucytosine Impurity B [ep Impurity]

37. Fluorouracil Impurity F [ep Impurity]

38. Ft-0640361

39. 5-fluoro-2-ethoxy-4(1h)pyrimidinone, 97%

40. 2-ethoxy-5-fluoro-1,4-dihydropyrimidin-4-one

41. 2-ethoxy-5-fluoro-3,4-dihydropyrimidin-4-one

42. 4(1h)-pyrimidinone, 2-ethoxy-5-fluoro-

43. 4(3h)-pyrimidinone, 2-ethoxy-5-fluoro-

44. A830943

45. W-105528

46. Q27251718

47. Fluorouracil Impurity F, European Pharmacopoeia (ep) Reference Standard

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 158.13 g/mol
Molecular Formula C6H7FN2O2
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area50.7
Heavy Atom Count11
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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