CAS 888504-27-6

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BUILDING BLOCK

3 Suppliers, 3 End Use APIs, 14 Related Intermediates

3 Suppliers
3 End Use APIs
14 Related Intermediates

Chemistry

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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 Formula	C₁₈H₂₁N₃O₆
Molecular Weight	375.4 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	375.14303540 g/mol
Monoisotopic Mass	375.14303540 g/mol
Topological Polar Surface Area	118 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	677
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