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Also known as: 151266-23-8, 4-amino-3-iodo-1h-pyrazolo[3,4-d]pyrimidine, 4-amino-3-iodopyrazolo[3,4-d]pyrimidine, 3-iodo-2h-pyrazolo[3,4-d]pyrimidin-4-amine, 1h-pyrazolo[3,4-d]pyrimidin-4-amine, 3-iodo-, 3-iodo-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine
Molecular Formula
C5H4IN5
Molecular Weight
261.02  g/mol
InChI Key
HQAIUXZORKJOJY-UHFFFAOYSA-N

CAS 151266-23-8
1 2D Structure

CAS 151266-23-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine
2.1.2 InChI
InChI=1S/C5H4IN5/c6-3-2-4(7)8-1-9-5(2)11-10-3/h1H,(H3,7,8,9,10,11)
2.1.3 InChI Key
HQAIUXZORKJOJY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=NC2=NNC(=C2C(=N1)N)I
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 151266-23-8

2. 4-amino-3-iodo-1h-pyrazolo[3,4-d]pyrimidine

3. 4-amino-3-iodopyrazolo[3,4-d]pyrimidine

4. 3-iodo-2h-pyrazolo[3,4-d]pyrimidin-4-amine

5. 1h-pyrazolo[3,4-d]pyrimidin-4-amine, 3-iodo-

6. 3-iodo-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine

7. Mfcd03787931

8. 3-iodo-1h-pyrazolo{3,4-d}pyrimidin-4-amine

9. Schembl8801

10. 7-iodo-7-deaza-8-aza-adenine

11. Dtxsid00364058

12. Bcp08713

13. Zinc5814210

14. Akos015853606

15. Cs-w009055

16. Pb15752

17. Sb21681

18. 1h-pyrazolo[3,4-d]pyrimidin-4-amine,

19. 3-iodo-4-aminopyrazolo[3,4-d]pyridine

20. 3-iodopyrazolo[3,4-d]pyrimidin-4-amine

21. 4-amino-3-iodopyrazolo[3,4-d]pyridine

22. Ac-26933

23. Am803252

24. As-20113

25. Sy007580

26. Db-006639

27. 3-iodo-4-amino-1h-pyrazolo[3,4-d]pyridine

28. Ft-0651030

29. I0941

30. 1h-pyrazolo[3,4-d]pyrimidin-4-amine,3-iodo-

31. 3-iodo-1h-pyrazolo[3,4-d]pyrimidine-4-amine

32. 3-iodo-4-amino-1h-pyrazolo[3,4-d]pyrimidine

33. 3-iodo-1h-pyrazolo [3, 4-d]pyrimidin-4-amine

34. A809151

35. W-201348

36. 3-iodo-1h-pyrazolo[3,4-d]pyrimidin-4-amine, Aldrichcpr

37. 3-iodo- 3-iodo-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine

2.3 Create Date
2005-07-11
3 Chemical and Physical Properties
Molecular Weight 261.02 g/mol
Molecular Formula C5H4IN5
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass260.95114 g/mol
Monoisotopic Mass260.95114 g/mol
Topological Polar Surface Area80.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity154
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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