CAS 56177-80-1

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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

CAS 56177-80-1

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 Formula	C₆H₇FN₂O₂
Molecular Weight	158.13 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	50.7
Heavy Atom Count	11
Formal Charge	0
Complexity	235
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