chempirical

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

C17H19N3O6CAS 519032-08-7361.35 g/mol

Open in Covalent MOL file
OONHNOONOHHO
EsterPhenol

Properties

Molecular formula
C17H19N3O6
Molar mass
361.35 g/mol
Exact mass
361.1274 Da
Melting point
186.3–187 °C
logP
2.04Crippen estimate
Polar surface area
134.4 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
519032-08-7
SMILES
COC(=O)c1nc(C(C)(C)N=C(O)OCc2ccccc2)nc(O)c1O
InChIKey
NIVUTAZNLHLBAN-UHFFFAOYSA-N
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)

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Names and synonyms

5 names
  • 4-Pyrimidinecarboxylic acid, 1,6-dihydro-5-hydroxy-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-, methyl ester
  • Methyl 2-[1-[[(benzyloxy)carbonyl]amino]-1-methylethyl]-5,6-dihydroxypyrimidine-4-carboxylate
  • 2-(1-Benzyloxycarbonylamino-1-methylethyl)-5,6-dihydroxypyrimidine-4-carboxylic acid methyl ester
  • Methyl 2-[1-[(benzyloxy)carbonyl]amino]-1-(1-methylethyl)-5,6-dihydroxypyrimidine-4-carboxylate
  • Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5,6-dihydroxypyrimidine-4-carboxylate

Work with Methyl 1,6-dihydro-5-hydroxy-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylate

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Similar compounds

Methyl 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylate888504-27-667 % similar N-Benzyloxycarbonylglycine methyl ester1212-53-946 % similar Phenylmethyl N-[1-[4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-2-pyrimidinyl]-1-methylethyl]carbamate518048-02-744 % similar 1-[[(Phenylmethoxy)carbonyl]amino]cyclopropanecarboxylic acid84677-06-543 % similar N-[(Phenylmethoxy)carbonyl]-L-serine methyl ester1676-81-940 % similar N-[(Phenylmethoxy)carbonyl]-L-tyrosine methyl ester13512-31-739 % similar Benzyloxycarbonylglycine1138-80-339 % similar O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-serine1676-75-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Varenicline tartrate375815-87-5 N4-Benzoyl-2'-O-methylcytidine52571-45-6

Elsewhere

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