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2D Structure
Also known as: 20980-22-7, 1-(2-pyrimidyl)piperazine, 2-(piperazin-1-yl)pyrimidine, 1-(2-pyrimidinyl)piperazine, 2-piperazin-1-ylpyrimidine, 2-piperazinopyrimidine
Molecular Formula
C8H12N4
Molecular Weight
164.21  g/mol
InChI Key
MRBFGEHILMYPTF-UHFFFAOYSA-N
FDA UNII
H3B5B38F56

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-piperazin-1-ylpyrimidine
2.1.2 InChI
InChI=1S/C8H12N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2
2.1.3 InChI Key
MRBFGEHILMYPTF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCN1)C2=NC=CC=N2
2.2 Other Identifiers
2.2.1 UNII
H3B5B38F56
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-(2-pyrimidinyl)piperazine

2. 1-pyrimidinylpiperazine

3. Mj 13653

4. Mj-13653

2.3.2 Depositor-Supplied Synonyms

1. 20980-22-7

2. 1-(2-pyrimidyl)piperazine

3. 2-(piperazin-1-yl)pyrimidine

4. 1-(2-pyrimidinyl)piperazine

5. 2-piperazin-1-ylpyrimidine

6. 2-piperazinopyrimidine

7. Pyrimidine, 2-(1-piperazinyl)-

8. 2-piperazin-1-yl-pyrimidine

9. 1-pp

10. 1-(2-pyrimidyl) Piperazine

11. Mfcd00040742

12. N-(2-pyrimidinyl)piperazine

13. 1-(2-pyrimidyl)-piperazine

14. 1-pyrimidin-2-yl-piperazine

15. 4-(2-pyrimidinyl)piperazine

16. 1-(2-pyrimidinyl)-piperazine

17. 1-(pyrimidin-2-yl)piperazine

18. 125523-53-7

19. 1-pyrimidinylpiperazine

20. 2-(piperazinyl)pyrimidine

21. Chembl724

22. 1-(2-pyrimidinyl) Piperazine

23. Campiron

24. Campirone

25. H3b5b38f56

26. Kampirone

27. 2-piperazino-pyrimidine

28. Pyrimidinylpiperazine

29. Buspirone Ep Impurity A

30. Einecs 244-135-5

31. 1-pyrimidyl Piperazine

32. Brn 0151178

33. Mj 13653

34. Maybridge1_004282

35. N-(2-pyrimidyl)piperazine

36. (s)-homoserinehydrochloride

37. 1-(2-pyrimidyl)piperizine

38. 1-(2pyrimidinyl)piperazine

39. 1-pyrimidin-2-ylpiperazine

40. 1-pyrimidin-2-yl-piperazin

41. 2-piperazin-1-yl Pyrimidine

42. Buspirone Related Compound A

43. 1-(2-pyrimidinyl) Piperzine

44. N-(pyrimidin-2-yl)piperazine

45. Schembl169214

46. Unii-h3b5b38f56

47. 2- (1-piperazinyl)pyrimidine

48. 2-(1-piperazinyl)-pyrimidine

49. 4-(2-pyrimidinyl) Piperazine

50. 1-(pyrimidine-2-yl)piperazine

51. 2-(1-piperazinyl)pyrimidine #

52. Mrbfgehilmyptf-uhfffaoysa-

53. Zinc66064

54. Dtxsid00864967

55. Chebi:166562

56. 1-(2-pyrimidyl)piperazine, 98%

57. Bdbm50007403

58. Pdsp1_000483

59. Pdsp2_000481

60. Stk088200

61. Akos000264519

62. Ac-1840

63. Am62510

64. Cs-w004464

65. Fs-1244

66. Hy-w004464

67. Sdccgmls-0065816.p001

68. Ncgc00247000-01

69. Bp-13017

70. Db-027250

71. Bb 0248124

72. Ft-0605569

73. Ft-0673928

74. P1110

75. Buspirone Related Compound A [usp-rs]

76. En300-33983

77. F11219

78. 4-25-00-02083 (beilstein Handbook Reference)

79. 980p227

80. Buspirone Metabolite (1-(2-pyrimidyl)-piperazine)

81. Buspirone Related Compound A [usp Impurity]

82. Q7263602

83. W-107583

84. Buspirone Hydrochloride Impurity A [ep Impurity]

85. Buspirone Related Compound A, United States Pharmacopeia (usp) Reference Standard

86. Buspirone Usp Rc A; 2-(piperazin-1-yl)pyrimidine; 2-(1-piperazinyl)pyrimidine; 1-(2-pyrimidinyl)piperazine; 2-piperazinopyrimidine; 4-(2-pyrimidinyl)piperazine

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 164.21 g/mol
Molecular Formula C8H12N4
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass164.106196400 g/mol
Monoisotopic Mass164.106196400 g/mol
Topological Polar Surface Area41 Ų
Heavy Atom Count12
Formal Charge0
Complexity127
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Adrenergic alpha-Antagonists

Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma. (See all compounds classified as Adrenergic alpha-Antagonists.)


Anti-Anxiety Agents

Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here. (See all compounds classified as Anti-Anxiety Agents.)


4.2 Metabolism/Metabolites

2-(1-piperazinyl)pyrimidine has known human metabolites that include 2-(Piperazin-1-yl)pyrimidin-5-ol.

2-(1-piperazinyl)pyrimidine is a known human metabolite of gepirone.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560