1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione

2.1.2 InChI

InChI=1S/C14H16N2O5/c1-20-10-4-3-9(7-11(10)21-2)5-6-16-13(18)8-12(17)15-14(16)19/h3-4,7H,5-6,8H2,1-2H3,(H,15,17,19)

2.1.3 InChI Key

XADOJCGJGFXLAH-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

9QR3EJ78HM

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 75535-95-4

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

3. 1-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4,6-trione

4. Ensifentrine Impurity 2

5. Cambridge Id 6943664

6. 9qr3ej78hm

7. Schembl5127911

8. Xadojcgjgfxlah-uhfffaoysa-n

9. Mfcd03707342

10. Akos015953053

11. Ns-04889

12. Sy318210

13. 1-(3,4-dimethoxyphenylethyl)barbituric Acid

14. 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6(1h,3h,5h)-pyrimidinetrione

15. 2,4,6(1h,3h,5h)-pyrimidinetrione, 1-[2-(3,4-dimethoxyphenyl)ethyl]-

16. 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-2,4(1h,3h)-pyrimidinedione

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₆N₂O₅
Molecular Weight	292.29 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	84.9
Heavy Atom Count	21
Formal Charge	0
Complexity	426
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

CAS 75535-95-4