CAS 171887-03-9

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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

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 Formula	C₅H₄Cl₂N₄O
Molecular Weight	207.01 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	205.9762162 g/mol
Monoisotopic Mass	205.9762162 g/mol
Topological Polar Surface Area	80.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	158
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