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2D Structure
Also known as: 62973-76-6, Yp2y0drx4s, (e)-2-amino-4-(2-(1-methyl-5-nitroimidazol-2-yl)vinyl)pyrimidine, Azanidazol, Nitromidine, 4-[(e)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine
Molecular Formula
C10H10N6O2
Molecular Weight
246.23  g/mol
InChI Key
LHIALLMPKJMSIQ-NSCUHMNNSA-N
FDA UNII
YP2Y0DRX4S

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine
2.1.2 InChI
InChI=1S/C10H10N6O2/c1-15-8(13-6-9(15)16(17)18)3-2-7-4-5-12-10(11)14-7/h2-6H,1H3,(H2,11,12,14)/b3-2+
2.1.3 InChI Key
LHIALLMPKJMSIQ-NSCUHMNNSA-N
2.1.4 Canonical SMILES
CN1C(=CN=C1C=CC2=NC(=NC=C2)N)[N+](=O)[O-]
2.1.5 Isomeric SMILES
CN1C(=CN=C1/C=C/C2=NC(=NC=C2)N)[N+](=O)[O-]
2.2 Other Identifiers
2.2.1 UNII
YP2Y0DRX4S
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Triclose

2.3.2 Depositor-Supplied Synonyms

1. 62973-76-6

2. Yp2y0drx4s

3. (e)-2-amino-4-(2-(1-methyl-5-nitroimidazol-2-yl)vinyl)pyrimidine

4. Azanidazol

5. Nitromidine

6. 4-[(e)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]pyrimidin-2-amine

7. Azanidazolum

8. Triclose

9. 2-pyrimidinamine, 4-(2-(1-methyl-5-nitro-1h-imidazol-2-yl)ethenyl)-, (e)-

10. Azanidazol [inn-spanish]

11. Azanidazolum [inn-latin]

12. Unii-yp2y0drx4s

13. Brn 4495385

14. 4-((e)-2-(1-methyl-5-nitro-1h-imidazol-2-yl)-ethenyl)-2-pyrimidinamine

15. Azanidazole [usan:inn:ban]

16. Azanidazole [mi]

17. Azanidazole [inn]

18. Azanidazole (usan/inn)

19. Azanidazole [usan]

20. 4-((e)-2-(1-methyl-5-nitro-1h-imidazol-2-yl)-aethenyl)-2-pyrimidinamin

21. Pyrimidine, 2-amino-4-((e)-2-(1-methyl-5-nitro-1h-imidazol-2-yl)ethenyl)-

22. 4-((e)-2-(1-methyl-5-nitro-1h-imidazol-2-yl)-aethenyl)-2-pyrimidinamin [german]

23. Azanidazole [mart.]

24. Azanidazole [who-dd]

25. Schembl668406

26. Chembl134920

27. Schembl20856187

28. Dtxsid40212180

29. Chebi:135001

30. 4-(2-(1-methyl-5-nitro-1h-imidazol-2-yl)ethenyl)-2-pyrimidinamine (e)

31. Db13350

32. D03028

33. Q523771

34. 4-[2-(1-methyl-5-nitro-1h-imidazol-2-yl)ethenyl]-2-pyrimidinamine

35. (e)-4-(2-(1-methyl-5-nitro-1h-imidazol-2-yl)vinyl)pyrimidin-2-amine

2.4 Create Date
2006-04-28
3 Chemical and Physical Properties
Molecular Weight 246.23 g/mol
Molecular Formula C10H10N6O2
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass246.08652358 g/mol
Monoisotopic Mass246.08652358 g/mol
Topological Polar Surface Area115 Ų
Heavy Atom Count18
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 ATC Code

G - Genito urinary system and sex hormones

G01 - Gynecological antiinfectives and antiseptics

G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids

G01AF - Imidazole derivatives

G01AF13 - Azanidazole


P - Antiparasitic products, insecticides and repellents

P01 - Antiprotozoals

P01A - Agents against amoebiasis and other protozoal diseases

P01AB - Nitroimidazole derivatives

P01AB04 - Azanidazole