Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 5167-18-0, 2-methyl-1h-purin-6(9h)-one, 2-methyl-3h-purin-6(7h)-one, 1,7-dihydro-2-methyl-6-purinone, 2-methyl-3,7-dihydropurin-6-one, 6h-purin-6-one, 1,7-dihydro-2-methyl-
Molecular Formula
C6H6N4O
Molecular Weight
150.14  g/mol
InChI Key
JXLWCABYHOMQHE-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-methyl-1,7-dihydropurin-6-one
2.1.2 InChI
InChI=1S/C6H6N4O/c1-3-9-5-4(6(11)10-3)7-2-8-5/h2H,1H3,(H2,7,8,9,10,11)
2.1.3 InChI Key
JXLWCABYHOMQHE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=NC2=C(C(=O)N1)NC=N2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 5167-18-0

2. 2-methyl-1h-purin-6(9h)-one

3. 2-methyl-3h-purin-6(7h)-one

4. 1,7-dihydro-2-methyl-6-purinone

5. 2-methyl-3,7-dihydropurin-6-one

6. 6h-purin-6-one, 1,7-dihydro-2-methyl-

7. 1,7-dihydro-2-methyl-6h-purin-6-one

8. 2-methylhypoxanthine

9. 2-methyl-1h-purin-6(7h)-one

10. 2-methylhypoxanthin

11. 2-methyl-1,9-dihydro-6h-purin-6-one

12. Schembl1898182

13. Schembl8278860

14. Dtxsid80355762

15. Amy11471

16. Fd7251

17. Mfcd02685601

18. Mfcd03428508

19. Zinc14982924

20. Akos006348855

21. Akos015856512

22. Akos022717463

23. Akos025146850

24. 2-methyl-3,7-dihydro-6h-purin-6-one

25. 2-methyl-6,7-dihydro-1h-purin-6-one

26. 2-methyl-6,9-dihydro-1h-purin-6-one

27. Ac-26670

28. Cs-11445

29. Sy021393

30. 2-methyl-1,7-dihydropurin-6-one

31. Db-049852

32. Cs-0045896

33. Ft-0612993

34. 167m180

35. A828723

36. Ac-907/25004538

2.3 Create Date
2019-01-15
3 Chemical and Physical Properties
Molecular Weight 150.14 g/mol
Molecular Formula C6H6N4O
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass150.05416083 g/mol
Monoisotopic Mass150.05416083 g/mol
Topological Polar Surface Area70.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity225
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1