CAS 4562-27-0

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Also known as: Pyrimidin-4-ol, 4-pyrimidinol, 4562-27-0, 51953-18-5, 51953-17-4, 4(3h)-pyrimidinone

Molecular Formula

C₄H₄N₂O

Molecular Weight

96.09 g/mol

InChI Key

DNCYBUMDUBHIJZ-UHFFFAOYSA-N

FDA UNII

K43V90OY4L

1 2D Structure

CAS 4562-27-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1H-pyrimidin-6-one

2.1.2 InChI

InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)

2.1.3 InChI Key

DNCYBUMDUBHIJZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CN=CNC1=O

2.2 Other Identifiers

2.2.1 UNII

K43V90OY4L

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-oh-p

2.3.2 Depositor-Supplied Synonyms

1. Pyrimidin-4-ol

2. 4-pyrimidinol

3. 4562-27-0

4. 51953-18-5

5. 51953-17-4

6. 4(3h)-pyrimidinone

7. Pyrimidin-4(3h)-one

8. 4(3h)-pyrimidone

9. Pyrimidin-4(1h)-one

10. 4-pyrimidone

11. 4(1h)-pyrimidinone

12. 4-oxopyrimidine

13. 4-pyrimidinone

14. Deaminoisocytosine

15. 1h-pyrimidin-6-one

16. 3h-pyrimidin-4-one

17. 4-oxypyrimidine

18. 1h-pyrimidin-4-one

19. 542-27-8

20. 6-hydroxypyrimidine

21. Pyrimidin-4-one

22. 3,4-dihydropyrimidin-4-one

23. 4-(3h)-pyrimidone

24. Nsc 1575

25. Nsc 157911

26. K43v90oy4l

27. Nsc-1575

28. Mfcd00006664

29. Mfcd00038024

30. Nsc-157911

31. Uraeil

32. 4-pyrimidinol (van)

33. Einecs 224-932-4

34. Unii-k43v90oy4l

35. Ai3-52024

36. 4-hydroxy-pyrimidine

37. 4-(lh)-pyrimidinone

38. Pyrimidine-4(3h)-one

39. Dtxsid5063524

40. Nsc1575

41. 4(3h)-pyrimidinone, >=98%

42. Act06152

43. Bcp04213

44. Bcp13987

45. Bcp26608

46. Ac-943

47. Ac8519

48. Nsc157911

49. Stk409564

50. Stl185515

51. Zinc18081263

52. Akos001448755

53. Akos009157155

54. Akos015892532

55. 1h-pyrimidin-6-one;4(3h)-pyrimidone

56. Ac-2727

57. Gs-5924

58. Pb32093

59. Sb10165

60. Ac-25243

61. Da-42222

62. Sy002707

63. Sy046617

64. 4(3h)-pyrimidinone, >=98.0% (nt)

65. Db-051325

66. Am20100167

67. Am20100277

68. Cs-0019949

69. Ft-0601299

70. Ft-0618746

71. Ft-0648609

72. Ft-0696311

73. H1000

74. O12062

75. Ab00171795-03

76. 562p270

77. 953h174

78. 953p185

79. A826863

80. Ac-907/30002018

81. A1-00389

82. Q-102029

83. W-202804

84. W-202960

85. Q17572767

86. F3329-0407

87. Z314605438

88. 4-hydroxypyrimidine Pound>>4-pyrimidinol Pound>>4(3)-pyrimidone

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₄N₂O
Molecular Weight	96.09 g/mol
XLogP3	-1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	96.032362755 g/mol
Monoisotopic Mass	96.032362755 g/mol
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	137
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

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