CAS 769-42-6

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1 End Use APIs
13 Related Intermediates

Chemistry

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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

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 Formula	C₆H₈N₂O₃
Molecular Weight	156.14 g/mol
XLogP3	-0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	57.7
Heavy Atom Count	11
Formal Charge	0
Complexity	214
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