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2D Structure
Also known as: 171887-03-9, N-(2-amino-4,6-dichloro-5-pyrimidinyl)formamide, N-(2-amino-4,6-dichloropyrimidine-5-yl)formamide, 2-amino-4,6-dichloro-5-formamidopyrimidine, Mfcd04112936, Formamide, n-(2-amino-4,6-dichloro-5-pyrimidinyl)-
Molecular Formula
C5H4Cl2N4O
Molecular Weight
207.01  g/mol
InChI Key
XYWHZUCZNRMJGO-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide
2.1.2 InChI
InChI=1S/C5H4Cl2N4O/c6-3-2(9-1-12)4(7)11-5(8)10-3/h1H,(H,9,12)(H2,8,10,11)
2.1.3 InChI Key
XYWHZUCZNRMJGO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(=O)NC1=C(N=C(N=C1Cl)N)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 171887-03-9

2. N-(2-amino-4,6-dichloro-5-pyrimidinyl)formamide

3. N-(2-amino-4,6-dichloropyrimidine-5-yl)formamide

4. 2-amino-4,6-dichloro-5-formamidopyrimidine

5. Mfcd04112936

6. Formamide, N-(2-amino-4,6-dichloro-5-pyrimidinyl)-

7. Ec 425-650-6

8. Schembl536664

9. Dtxsid30436651

10. Act01425

11. Bcp22646

12. Zinc2526849

13. Bbl030214

14. Stl242902

15. 2,5-diamino-4,6-dichloroformamidohcl

16. Akos015854991

17. Ac-1437

18. Am84604

19. Cs-w015293

20. Sb60473

21. As-15705

22. Sy030956

23. Db-043875

24. Ft-0643648

25. 2-amino-4,6-dichloro-5-formamido Pyrimidine

26. N-(2-amino-4,6-dichloro-5-primidinyl)formamide

27. N-(2-amino-4,6-dichloro-5-pyrimdinyl)formamide

28. N-(2-amino-4,6-dichloro-5-pyrmidinyl)formamide

29. N-(2-amino-4,6dichloro-5-pyrimidinyl)formamide

30. 887a039

31. A811363

32. N-(2-amino-4,6-dichloro-5-pyrimidinyl) Formamide

33. N-(2-amino-4,6-dichloro-pyrimidin-5-yl)-formamide

34. N-(2-amino-4,6-dichloropyrimidin-5-yl)-formamide

35. 4h-1-benzopyran-4-one-2,3-dihydro-7-hydroxy-(9ci)

36. N-[2-azanyl-4,6-bis(chloranyl)pyrimidin-5-yl]methanamide

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 207.01 g/mol
Molecular Formula C5H4Cl2N4O
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass205.9762162 g/mol
Monoisotopic Mass205.9762162 g/mol
Topological Polar Surface Area80.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity158
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1