109-12-6

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CHEMISTRY

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Chemistry

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Also known as: Pyrimidin-2-amine, 109-12-6, 2-pyrimidinamine, Pyrimidin-2-ylamine, Aminopyrimidine, 2-pyrimidiylamine

Molecular Formula

C₄H₅N₃

Molecular Weight

95.10 g/mol

InChI Key

LJXQPZWIHJMPQQ-UHFFFAOYSA-N

FDA UNII

OB8I17P2G4

1 2D Structure

109-12-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

pyrimidin-2-amine

2.1.2 InChI

InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)

2.1.3 InChI Key

LJXQPZWIHJMPQQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CN=C(N=C1)N

2.2 Other Identifiers

2.2.1 UNII

OB8I17P2G4

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Aminopyrimidine

2.3.2 Depositor-Supplied Synonyms

1. Pyrimidin-2-amine

2. 109-12-6

3. 2-pyrimidinamine

4. Pyrimidin-2-ylamine

5. Aminopyrimidine

6. 2-pyrimidiylamine

7. Pyrimidine, 2-amino-

8. 2-amino-pyrimidine

9. 1,2-dihydro-2-iminopyrimidine

10. Pyrimidinamine

11. 2(1h)-pyrimidinimine (9ci)

12. 153824-54-5

13. 2(1h)-pyrimidinimine, (e)- (9ci)

14. 2(1h)-pyrimidinimine, (z)- (9ci)

15. Chembl88580

16. Ob8i17p2g4

17. Chebi:38618

18. Nsc-1912

19. Mfcd00006089

20. 176773-04-9

21. 176773-05-0

22. 2-pyridiylamine

23. 551920-04-8

24. Amino Pyrimidine

25. Nsc 1912

26. Einecs 203-648-4

27. Iminopyrimidine

28. Pyrimidyl Amine

29. Amino-pyrimidine

30. Ai3-24128

31. 2-aminpirimidina

32. 2-aminopirimidina

33. Pyrimidin-2-amine; Sulfadiazine Imp. A (pharmeuropa); Sulfadiazine Impurity A

34. 2-amino Pyrimidine

35. Pyrimidine-2-amine

36. Lga

37. Pyrimidine, 1,2-dihydro-2-imine-

38. Pyrimidin-2-yl-amine

39. 27043-39-6

40. Sulfadiazine Impurity A

41. 2-aminopyrimidine, 97%

42. Unii-ob8i17p2g4

43. Dtxsid70870459

44. Nsc1912

45. Am690

46. Bdbm50354823

47. Stk317800

48. Akos000119323

49. Cs-w020110

50. Mb00175

51. Ac-15596

52. As-13594

53. Hy-41340

54. Db-015939

55. Db-347327

56. Pyrimidine, 1,2-dihydro-2-imino-

57. A0412

58. Ns00004461

59. Sulfadiazine Impurity A [ep Impurity]

60. En300-17309

61. 2-aminopyrimidine, Vetec(tm) Reagent Grade, 97%

62. A801969

63. A927973

64. Q-200239

65. Q27117919

66. F3329-0410

67. Sulfadiazine Impurity A, European Pharmacopoeia (ep) Reference Standard

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₅N₃
Molecular Weight	95.10 g/mol
XLogP3	-0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	51.8
Heavy Atom Count	7
Formal Charge	0
Complexity	48.9
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