CAS 151266-23-8

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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

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 Formula	C₅H₄IN₅
Molecular Weight	261.02 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	260.95114 g/mol
Monoisotopic Mass	260.95114 g/mol
Topological Polar Surface Area	80.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	154
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