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2D Structure
Also known as: 35824-91-0, 1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione, 1,3-dicyclohexylpyrimidine-2,4,6(1h,3h,5h)-trione, Brn 0893954, Barbituric acid, 1,3-dicyclohexyl-, Mfcd01216967
Molecular Formula
C16H24N2O3
Molecular Weight
292.37  g/mol
InChI Key
PRZQJMWBZWAUKW-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione
2.1.2 InChI
InChI=1S/C16H24N2O3/c19-14-11-15(20)18(13-9-5-2-6-10-13)16(21)17(14)12-7-3-1-4-8-12/h12-13H,1-11H2
2.1.3 InChI Key
PRZQJMWBZWAUKW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCC(CC1)N2C(=O)CC(=O)N(C2=O)C3CCCCC3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 35824-91-0

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

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

4. Brn 0893954

5. Barbituric Acid, 1,3-dicyclohexyl-

6. Mfcd01216967

7. 1,3-dicyclohexyl-2,4,6(1h,3h,5h)-pyrimidinetrione

8. 5-24-09-00094 (beilstein Handbook Reference)

9. Lczc2833

10. Schembl3422430

11. Chembl1766835

12. Dtxsid30957235

13. Akos005228461

14. As-60573

15. Ls-24136

16. Sy053752

17. Cs-0451621

18. D2815

19. N16905

20. J-503898

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 292.37 g/mol
Molecular Formula C16H24N2O3
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area57.7
Heavy Atom Count21
Formal Charge0
Complexity399
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1