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CAS 888504-27-6
Also known as: 888504-27-6, 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic acid methyl ester, Methyl 5-hydroxy-1-methyl-6-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]pyrimidine-4-carboxylate, 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic acid methyl ester, Methyl 2-(1-cbz-nh-i-pr)-5-oh-1-me-6-oxo-1,6-dihydropyrimidine-4-carboxylate, 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarbox
Molecular Formula
C18H21N3O6
Molecular Weight
375.4  g/mol
InChI Key
SNDXNBICJATRDW-UHFFFAOYSA-N

1 2D Structure

CAS 888504-27-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 5-hydroxy-1-methyl-6-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]pyrimidine-4-carboxylate
2.1.2 InChI
InChI=1S/C18H21N3O6/c1-18(2,20-17(25)27-10-11-8-6-5-7-9-11)16-19-12(15(24)26-4)13(22)14(23)21(16)3/h5-9,22H,10H2,1-4H3,(H,20,25)
2.1.3 InChI Key
SNDXNBICJATRDW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C1=NC(=C(C(=O)N1C)O)C(=O)OC)NC(=O)OCC2=CC=CC=C2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 888504-27-6

2. 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic Acid Methyl Ester

3. Methyl 5-hydroxy-1-methyl-6-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]pyrimidine-4-carboxylate

4. 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic Acid Methyl Ester

5. Methyl 2-(1-cbz-nh-i-pr)-5-oh-1-me-6-oxo-1,6-dihydropyrimidine-4-carboxylate

6. 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarbox

7. 4-pyrimidinecarboxylic Acid, 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-, Methyl Ester

8. 1,6-dihydro-5-hydroxy-1-methyl-2-(1-methyl-1-(((phenylmethoxy)carbonyl)amino)ethyl)-6-oxo-4-pyrimidinecarboxylic Acid Methyl Ester

9. Methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate

10. Schembl8266635

11. Dtxsid40715848

12. Amy40341

13. Bcp13466

14. Mfcd10698809

15. Zinc21300715

16. Akos015899187

17. Cs-w005294

18. Ds-1946

19. Sb57891

20. 1100750-74-0

21. Ac-25867

22. Methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate

23. Methyl2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate

24. Db-059967

25. Ft-0666998

26. 504p276

27. A852384

28. J-504034

29. 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy) Carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic Acid Methyl Ester

30. Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-16-dihydropyrimidine-4-carboxylate

31. Methyl 2-[2-(benzyloxycarbonylamino)propan-2-yl]-5-hydroxy-1-methyl-6-oxo-1,6- Dihydropyrimidine-4-carboxylate

2.3 Create Date
2011-12-26
3 Chemical and Physical Properties
Molecular Weight 375.4 g/mol
Molecular Formula C18H21N3O6
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass375.14303540 g/mol
Monoisotopic Mass375.14303540 g/mol
Topological Polar Surface Area118 Ų
Heavy Atom Count27
Formal Charge0
Complexity677
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...
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