CAS 519032-08-7

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2 End Use APIs
15 Related Intermediates

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Also known as: 519032-08-7, Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate, Methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5,6-dihydroxypyrimidine-4-carboxylate, Methyl 2-(1-{[(benzyloxy)carbonyl]amino}-1-methylethyl)-5,6-dihydroxypyrimidine-4-carboxylate, 4-pyrimidinecarboxylic acid, 1,6-dihydro-5-hydroxy-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-, methyl ester, Methyl 5-hydroxy-4-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1h-pyrimidine-6-carboxylate

Molecular Formula

C₁₇H₁₉N₃O₆

Molecular Weight

361.3 g/mol

InChI Key

NIVUTAZNLHLBAN-UHFFFAOYSA-N

1 2D Structure

CAS 519032-08-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C17H19N3O6/c1-17(2,20-16(24)26-9-10-7-5-4-6-8-10)15-18-11(14(23)25-3)12(21)13(22)19-15/h4-8,21H,9H2,1-3H3,(H,20,24)(H,18,19,22)

2.1.3 InChI Key

NIVUTAZNLHLBAN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C1=NC(=C(C(=O)N1)O)C(=O)OC)NC(=O)OCC2=CC=CC=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 519032-08-7

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

3. Methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5,6-dihydroxypyrimidine-4-carboxylate

4. Methyl 2-(1-{[(benzyloxy)carbonyl]amino}-1-methylethyl)-5,6-dihydroxypyrimidine-4-carboxylate

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

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

7. 1,6-dihydro-5-hydroxy-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic Acid

8. 1,6-dihydro-5-hydroxy-2-[1-methyl-1-[[benzylcarbamoyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylic Acid Methyl Ester

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

10. Methyl 2-(1-{[(benzyloxy) Carbonyl] Amino}-1-methylethyl)-5,6-dihydroxypyrimidine-4-carboxylate

11. Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5,6-dihydroxypyrimidine-4-carboxylate

12. Schembl1150858

13. Schembl8267930

14. Ammd00037

15. Dtxsid10715719

16. Bcp12474

17. Mfcd12026362

18. Zinc21299554

19. Akos015839286

20. Akos015899186

21. Am85801

22. Cs-w000544

23. Ne-0215

24. Sb55526

25. 1100750-73-9

26. Ac-25866

27. Db-059966

28. Ft-0666997

29. Ft-0773639

30. 032p087

31. J-521800

32. Methyl 2-(2-(((benzyloxy)(hydroxy)methylene)amino)propan-2-yl)-5,6-dihydroxypyrimidine-4-carboxylate

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

34. Methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5-hydroxy-6-oxo-3,6-dihydropyrimidine-4-carboxylate

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

2.3 Create Date

2019-01-15

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₉N₃O₆
Molecular Weight	361.3 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	361.12738533 g/mol
Monoisotopic Mass	361.12738533 g/mol
Topological Polar Surface Area	126 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	647
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