CAS 66-22-8

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Also known as: 66-22-8, 2,4-dihydroxypyrimidine, 2,4(1h,3h)-pyrimidinedione, 2,4-pyrimidinediol, Pyrimidine-2,4(1h,3h)-dione, 2,4-dioxopyrimidine

Molecular Formula

C₄H₄N₂O₂

Molecular Weight

112.09 g/mol

InChI Key

ISAKRJDGNUQOIC-UHFFFAOYSA-N

FDA UNII

56HH86ZVCT

One of four nucleotide bases in the nucleic acid RNA.

1 2D Structure

CAS 66-22-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1H-pyrimidine-2,4-dione

2.1.2 InChI

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

2.1.3 InChI Key

ISAKRJDGNUQOIC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CNC(=O)NC1=O

2.2 Other Identifiers

2.2.1 UNII

56HH86ZVCT

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 66-22-8

2. 2,4-dihydroxypyrimidine

3. 2,4(1h,3h)-pyrimidinedione

4. 2,4-pyrimidinediol

5. Pyrimidine-2,4(1h,3h)-dione

6. 2,4-dioxopyrimidine

7. Pyrod

8. Pyrimidine-2,4-diol

9. Hybar X

10. 2,4-pyrimidinedione

11. Pirod

12. 1h-pyrimidine-2,4-dione

13. 51953-14-1

14. Uracil [usan]

15. Ru 12709

16. Ura

17. Mfcd00006016

18. Ccris 3077

19. Uracyl

20. Urazil

21. 2-hydroxy-4(3h)-pyrimidinone

22. Sq 6201

23. Sq 7726

24. Sq 8493

25. Chebi:17568

26. 1,2,3,4-tetrahydropyrimidine-2,4-dione

27. Bms 205603-01

28. Ai3-25470

29. Nsc 3970

30. Nsc-3970

31. Sq-6201

32. Sq-7726

33. Sq-8493

34. Lamivudine Impurity E

35. 2-hydroxy-4(1h)-pyrimidinone

36. Bms-205603-01

37. Lamivudine Impurity E Rs

38. 144104-68-7

39. 66255-05-8

40. 56hh86zvct

41. 4-hydroxy-2(1h)-pyrimidinone

42. Fluorouracil Specified Compound C

43. Nsc3970

44. Ncgc00181030-01

45. Dsstox_cid_1424

46. Dsstox_rid_76153

47. Dsstox_gsid_21424

48. 4-hydroxyuracil

49. Cas-66-22-8

50. Cid 5274267

51. Uracil (8ci)

52. Uracil [usan:jan]

53. Einecs 200-621-9

54. Unii-56hh86zvct

55. 2,4-pyrimidinediol (9ci)

56. 4(3h)-pyrimidinone, 2-hydroxy- (9ci)

57. 8h-uracil

58. Hydroxypyrimidinone

59. 2,6-dioxypyrimidin

60. Uracil,(s)

61. 2,4-dioxypyrimidine

62. 2,4(1h,3h)-pyrimidinedione (9ci)

63. Pyrimidine-2,4-dione

64. Fluorouracil Impurity C

65. Uracil, 99%

66. 1ui0

67. Uracil (jan/usan)

68. 2,3h)-pyrimidinedione

69. 2,6-dihydroxypyrimidine

70. Uracil [inci]

71. Uracil [jan]

72. Uracil [usp-rs]

73. Uracil [who-dd]

74. Uracil [mi]

75. Uracil [mart.]

76. Bmse000187

77. Bmse000940

78. Chembl566

79. Epitope Id:120356

80. Ncimech_000782

81. Schembl8235

82. Uracil, >=99.0%

83. Mls001304993

84. Gtpl4560

85. 2,4-(1h,3h)-pyrimidinedione

86. Dtxsid4021424

87. 1h-pyrimidine-2,4-dione;uracil

88. Uracil, >=99.0% (t)

89. Hms2234e19

90. Hms3264c13

91. Hms3373e18

92. Hms3652n05

93. Pharmakon1600-01502345

94. Zinc895045

95. Bcp26546

96. Hy-i0960

97. Nsc29742

98. Tox21_112680

99. Tox21_201023

100. Bdbm50549809

101. Ccg-35866

102. Nsc-29742

103. Nsc759649

104. S4177

105. Stk301734

106. Stl124066

107. Akos000119989

108. Akos002303991

109. Tox21_112680_1

110. 4(3h)-pyrimidinone,2-hydroxy-(9ci)

111. Am83913

112. Ccg-213042

113. Cs-w020104

114. Db03419

115. Nsc-759649

116. Ps-5279

117. Sb55489

118. Sb55884

119. Ncgc00181030-02

120. Ncgc00247663-01

121. Ncgc00258576-01

122. Uracil, Vetec(tm) Reagent Grade, 98%

123. Nci60_003718

124. Pyrimidine-2,4(1h,3h)-dione (uracil)

125. Smr000752912

126. Sy008943

127. Uracil 1000 Microg/ml In Methanol:water

128. Db-030518

129. Db-103964

130. Lamivudine Impurity F [ep Impurity]

131. Bb 0242167

132. Fluorouracil Impurity C [ep Impurity]

133. Ft-0609769

134. Ft-0694063

135. Ft-0695907

136. Ft-0695908

137. Ft-0773727

138. Lamivudine Impurity E [usp Impurity]

139. Sw220239-1

140. U0013

141. Uracil, Suitable For Cell Culture, Bioreagent

142. C00106

143. D00027

144. Ab00171810_03

145. Ab00171810_04

146. Ab00918623-05

147. A835376

148. Ac-907/30002021

149. Q182990

150. Z56889474

151. F1796-0008

152. Fluorouracil Specified Compound C [usp Impurity]

153. E2fc11e5-1887-46df-b415-82313ce9b2bd

154. Uracil, United States Pharmacopeia (usp) Reference Standard

155. Fluorouracil Impurity C, European Pharmacopoeia (ep) Reference Standard

156. Uracil, Pharmaceutical Secondary Standard; Certified Reference Material

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₄H₄N₂O₂
Molecular Weight	112.09 g/mol
XLogP3	-1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	112.027277375 g/mol
Monoisotopic Mass	112.027277375 g/mol
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	161
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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