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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

CAS 171887-03-9
1 2D Structure

CAS 171887-03-9

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

BUILDING BLOCK

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