chempirical

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

C18H21N3O6CAS 888504-27-6375.38 g/mol

Open in Covalent MOL file
OONNHOONOHO
EsterPhenol

Properties

Molecular formula
C18H21N3O6
Molar mass
375.38 g/mol
Exact mass
375.1430 Da
Melting point
198.5–199 °C
logP
1.64Crippen estimate
Polar surface area
123.2 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
5

Identifiers

CAS number
888504-27-6
SMILES
COC(=O)c1nc(C(C)(C)N=C(O)OCc2ccccc2)n(C)c(=O)c1O
InChIKey
SNDXNBICJATRDW-UHFFFAOYSA-N
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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

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

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

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenylmethyl N-[1-[4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-2-pyrimidinyl]-1-methylethyl]carbamate518048-02-767 % similar Methyl 1,6-dihydro-5-hydroxy-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylate519032-08-767 % similar N-Benzyloxycarbonylglycine methyl ester1212-53-941 % similar 1-[[(Phenylmethoxy)carbonyl]amino]cyclopropanecarboxylic acid84677-06-540 % similar N-[(Phenylmethoxy)carbonyl]-L-serine methyl ester1676-81-938 % similar 2-(1-Amino-1-methylethyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide518048-03-838 % similar N-[(Phenylmethoxy)carbonyl]-L-tyrosine methyl ester13512-31-737 % similar 4-(1,1-Dimethylethyl) hydrogen N-[(phenylmethoxy)carbonyl]-L-aspartate5545-52-836 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook