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Overview of CAS 862730-04-9

Client Email Product
4CH-011564
PharmaCompass
  • Chemistry
4CH-011564
Also known as: 3-iodo-1-isopropyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine, 862730-04-9, Ak-88640, 1h-pyrazolo[3,4-d]pyrimidin-4-amine, 3-iodo-1-(1-methylethyl)-, Schembl868687, C8h10in5
Molecular Formula
C8H10IN5
Molecular Weight
303.107  g/mol
InChI Key
OZULUFUHMFFLQF-UHFFFAOYSA-N

1 2D Structure

4CH-011564

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
2.1.2 InChI
InChI=1S/C8H10IN5/c1-4(2)14-8-5(6(9)13-14)7(10)11-3-12-8/h3-4H,1-2H3,(H2,10,11,12)
2.1.3 InChI Key
OZULUFUHMFFLQF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)N1C2=C(C(=NC=N2)N)C(=N1)I
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

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

2. 862730-04-9

3. Ak-88640

4. 1h-pyrazolo[3,4-d]pyrimidin-4-amine, 3-iodo-1-(1-methylethyl)-

5. Schembl868687

6. C8h10in5

7. Ctk8b6737

8. Ks-00000ptv

9. Dtxsid80648005

10. Molport-006-727-757

11. Anw-54207

12. Mfcd12196866

13. Spb-80380

14. Zinc36056299

15. Akos015998914

16. Cs-w019087

17. Fch1342866

18. Aj-92376

19. Cj-18865

20. Ds-18497

21. En000399

22. He099613

23. Ax8227283

24. Kb-236345

25. Tc-142952

26. 4ch-011564

27. St24022912

28. W8861

29. M-9639

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

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

32. 3-iodo-1-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine

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

2.3 Create Date
2008-09-27
3 Chemical and Physical Properties
Molecular Weight 303.107 g/mol
Molecular Formula C8H10IN5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass302.998 g/mol
Monoisotopic Mass302.998 g/mol
Topological Polar Surface Area69.6 A^2
Heavy Atom Count14
Formal Charge0
Complexity212
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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