CAS 1193-24-4

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25 Related Intermediates

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Also known as: 1193-24-4, Pyrimidine-4,6-diol, 4,6-pyrimidinediol, 4(1h)-pyrimidinone, 6-hydroxy-, 6-hydroxy-4(1h)-pyrimidinone, 4-hydroxy-1h-pyrimidin-6-one

Molecular Formula

C₄H₄N₂O₂

Molecular Weight

112.09 g/mol

InChI Key

DUFGYCAXVIUXIP-UHFFFAOYSA-N

FDA UNII

6L93V0S662

1 2D Structure

CAS 1193-24-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-hydroxy-1H-pyrimidin-6-one

2.1.2 InChI

InChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)

2.1.3 InChI Key

DUFGYCAXVIUXIP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(N=CNC1=O)O

2.2 Other Identifiers

2.2.1 UNII

6L93V0S662

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1193-24-4

2. Pyrimidine-4,6-diol

3. 4,6-pyrimidinediol

4. 4(1h)-pyrimidinone, 6-hydroxy-

5. 6-hydroxy-4(1h)-pyrimidinone

6. 4-hydroxy-1h-pyrimidin-6-one

7. 6-hydroxypyrimidin-4(3h)-one

8. 4(3h)-pyrimidinone, 6-hydroxy-

9. 6-hydroxy-4-pyrimidinone

10. Mfcd00016733

11. Nsc-22838

12. 6l93v0s662

13. 6-hydroxy-1h-pyrimidin-4-one

14. 4,6-dihydroxypyrimidin

15. Nsc 22838

16. 4,6-dihydroxypyrimidin [german]

17. Einecs 214-772-3

18. Unii-6l93v0s662

19. Nsc22838

20. 4,6-dihydroxy Pyrimidine

21. Ec 214-772-3

22. 6-hydroxy-4(3h)-pyrimidone

23. Mls000774924

24. Schembl152294

25. 6-hydroxy-3h-pyrimidin-4-one

26. Schembl8088423

27. 4,6-dihydroxypyrimidine, 98%

28. Chembl1722176

29. Dtxsid6025434

30. Dufgycaxviuxip-uhfffaoysa-

31. Chebi:184008

32. Hms2744p17

33. Act10420

34. Bcp00979

35. Str03284

36. Stl135950

37. Stl139315

38. Zinc18165139

39. Akos003237466

40. Akos005746727

41. Ac-2511

42. Cs-w016618

43. Ps-3433

44. Sb57283

45. Ncgc00246132-01

46. Hydroxy-4(1h)-pyrimidinone, 6-

47. Smr000368133

48. Sy001718

49. Db-016046

50. 4,6-dioxohexahydropyrimidine-2-ylium-5-ide

51. Am20080136

52. Bb 0242395

53. D1821

54. Ft-0617255

55. En300-25578

56. 93d244

57. Ab-323/25048196

58. W-108518

59. Q27265097

60. F0176-0211

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₄N₂O₂
Molecular Weight	112.09 g/mol
XLogP3	-0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	112.027277375 g/mol
Monoisotopic Mass	112.027277375 g/mol
Topological Polar Surface Area	61.7 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	171
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