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2D Structure
Also known as: 5355-16-8, Diaveridin, 2,4-diamino-5-veratrylpyrimidine, Diaveridinum, Diaveridina, 5-(3,4-dimethoxybenzyl)pyrimidine-2,4-diamine
Molecular Formula
C13H16N4O2
Molecular Weight
260.29  g/mol
InChI Key
LDBTVAXGKYIFHO-UHFFFAOYSA-N
FDA UNII
7KVX81XA87

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
2.1.2 InChI
InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
2.1.3 InChI Key
LDBTVAXGKYIFHO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC
2.2 Other Identifiers
2.2.1 UNII
7KVX81XA87
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2,4-diamino-5-(3,4-dimethoxybenzyl)pyrimidine

2. Diaveridine Monohydrochloride

3. Egis-5645

2.3.2 Depositor-Supplied Synonyms

1. 5355-16-8

2. Diaveridin

3. 2,4-diamino-5-veratrylpyrimidine

4. Diaveridinum

5. Diaveridina

6. 5-(3,4-dimethoxybenzyl)pyrimidine-2,4-diamine

7. Bw 49-210

8. 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine

9. Egis-5645

10. 2,4-diamino-5-(3,4-dimethoxybenzyl)pyrimidine

11. 5-((3,4-dimethoxyphenyl)methyl)-2,4-pyrimidinediamine

12. Ai3-23935

13. Pyrimidine, 2,4-diamino-5-veratryl-

14. Nsc-408735

15. Chebi:123115

16. 2,4-pyrimidinediamine, 5-[(3,4-dimethoxyphenyl)methyl]-

17. 5-(3,4-dimethoxy-benzyl)-pyrimidine-2,4-diamine

18. Chembl19633

19. 7kvx81xa87

20. Nsc408735

21. 2,4-pyrimidinediamine, 5-((3,4-dimethoxyphenyl)methyl)-

22. Ncgc00160517-01

23. Bw-49210

24. Diaveridine 10 Microg/ml In Acetonitrile

25. Bw-49-210

26. Dsstox_cid_26200

27. Dsstox_rid_81431

28. Dsstox_gsid_46200

29. Diaveridinum [inn-latin]

30. Diaveridina [inn-spanish]

31. Cas-5355-16-8

32. Diaveridine [usan:inn:ban]

33. Ccris 3784

34. Egis 5645

35. Einecs 226-333-3

36. 5-(3,4-dimethoxybenzyl)-2,4-pyrimidinediamine

37. Nsc 408735

38. Brn 0258464

39. Unii-7kvx81xa87

40. Mfcd00057349

41. Diaveridine [mi]

42. Diaveridine [inn]

43. Diaveridine (usan/inn)

44. Diaveridine [usan]

45. Epitope Id:119685

46. Diaveridine [mart.]

47. Schembl93896

48. Diaveridine [usp-rs]

49. 2,4-diamino-5-(3',4'-dimethoxybenzyl)pyrimidine

50. 5-25-13-00391 (beilstein Handbook Reference)

51. Mls004712092

52. 2,4-dimethoxybenzyl)pyrimidine

53. Ccris-3784

54. Dtxsid2046200

55. Zinc24946

56. Pyrimidine,4-diamino-5-veratryl-

57. Hms3264i16

58. Pharmakon1600-01502300

59. Hy-b1902

60. Tox21_111866

61. Bbl009897

62. Bdbm50138691

63. Nsc759634

64. S5200

65. Stk711076

66. Akos005530708

67. Tox21_111866_1

68. Ccg-213021

69. Nsc-759634

70. 2, 5-[(3,4-dimethoxyphenyl)methyl]-

71. Ncgc00160517-02

72. Ncgc00160517-03

73. Ac-12110

74. As-56306

75. Bw 49210

76. Smr002529995

77. Diaveridine 100 Microg/ml In Acetonitrile

78. Cs-0013961

79. Ft-0603089

80. 210u49

81. D03771

82. D81857

83. Ab01562957_01

84. Diaveridine, Vetranal(tm), Analytical Standard

85. 355d168

86. 5-(3,4-dimethoxybenzyl)-2,4-pyrimidinediamine #

87. A829660

88. Sr-01000939849

89. 2,4-diamino-5-(3',4'-dimethoxybenzyl) Pyrimidine

90. 2,4-diamino-5-(3',4'-dimethoxybenzyl)-pyrimidine

91. Diaveridine, Analytical Standard, >=99.0% (tlc)

92. Sr-01000939849-2

93. W-105726

94. Q27212503

95. Diaveridine, United States Pharmacopeia (usp) Reference Standard

96. Kup

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 260.29 g/mol
Molecular Formula C13H16N4O2
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass260.12732577 g/mol
Monoisotopic Mass260.12732577 g/mol
Topological Polar Surface Area96.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity279
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1