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Also known as: 769-42-6, 1,3-dimethyl-1,3-diazinane-2,4,6-trione, 2,4,6(1h,3h,5h)-pyrimidinetrione, 1,3-dimethyl-, N,n'-dimethylbarbituric acid, 1,3-dimethylbarbituricacid, 1,3-dimethylpyrimidine-2,4,6(1h,3h,5h)-trione
Molecular Formula
C6H8N2O3
Molecular Weight
156.14  g/mol
InChI Key
VVSASNKOFCZVES-UHFFFAOYSA-N

CAS 769-42-6
1 2D Structure

CAS 769-42-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,3-dimethyl-1,3-diazinane-2,4,6-trione
2.1.2 InChI
InChI=1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3
2.1.3 InChI Key
VVSASNKOFCZVES-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1C(=O)CC(=O)N(C1=O)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 769-42-6

2. 1,3-dimethyl-1,3-diazinane-2,4,6-trione

3. 2,4,6(1h,3h,5h)-pyrimidinetrione, 1,3-dimethyl-

4. N,n'-dimethylbarbituric Acid

5. 1,3-dimethylbarbituricacid

6. 1,3-dimethylpyrimidine-2,4,6(1h,3h,5h)-trione

7. Barbituric Acid, 1,3-dimethyl-

8. 1,3-dimethyl-2,4,6(1h,3h,5h)-pyrimidinetrione

9. 1,3-dimethyl-2,4,6(1h,3h,5h)pyrimidinetrione

10. Einecs 212-211-7

11. Mfcd00006675

12. Nsc 61918

13. 1,3 Dimethylbarbituric Acid

14. 1,3 Dimethyl Barbituric Acid

15. 1,3-dimethyl-barbituric Acid

16. Mls004491692

17. 1, 3-dimethylbarbituric Acid

18. 1,3-dimethyl Barbituric Acid

19. Schembl145601

20. 1, 3-dimethyl Barbituric Acid

21. F0777-1614

22. Dtxsid0061115

23. Vvsasnkofczves-uhfffaoysa-

24. Nsc61918

25. Ac7893

26. Bbl023648

27. Nsc-61918

28. Stk398315

29. 1,3-dimethyl-2,4,6-pyrimidinetrione

30. Akos000119753

31. Cs-w018012

32. 1,3-dimethyl-pyrimidine-2,4,6-trione

33. Upcmld0enat5883851:001

34. Ds-14418

35. Smr001337373

36. Sy012975

37. D1618

38. 1,3-dimethylbarbituric Acid, >=99.0% (t)

39. A838911

40. Ae-848/30739017

41. 2,6(1h,3h,5h)-pyrimidinetrione, 1,3-dimethyl-

42. W-104334

43. 1,3-dimethyl-2,4,6(1h,3h,5h)-pyrimidinetrione #

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 156.14 g/mol
Molecular Formula C6H8N2O3
XLogP3-0.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area57.7
Heavy Atom Count11
Formal Charge0
Complexity214
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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