Phenylmethyl N-[1-[4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-2-pyrimidinyl]-1-methylethyl]carbamate

C₂₄H₂₅FN₄O₅CAS 518048-02-7468.49 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₂₄H₂₅FN₄O₅
Molar mass: 468.49 g/mol
Exact mass: 468.1809 Da
Melting point: 182–182.8 °C
logP: 3.50Crippen estimate
Polar surface area: 129.5 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 7

Identifiers

CAS number

518048-02-7

SMILES

Cn1c(C(C)(C)N=C(O)OCc2ccccc2)nc(C(O)=NCc2ccc(F)cc2)c(O)c1=O

InChIKey

YSQDMQRPJOGQNV-UHFFFAOYSA-N

InChI

InChI=1S/C24H25FN4O5/c1-24(2,28-23(33)34-14-16-7-5-4-6-8-16)22-27-18(19(30)21(32)29(22)3)20(31)26-13-15-9-11-17(25)12-10-15/h4-12,30H,13-14H2,1-3H3,(H,26,31)(H,28,33)

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Names and synonyms

4 names

Carbamic acid, N-[1-[4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-2-pyrimidinyl]-1-methylethyl]-, phenylmethyl ester
Carbamic acid, [1-[4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-2-pyrimidinyl]-1-methylethyl]-, phenylmethyl ester
Benzyl [1-[4-[[(4-fluorobenzyl)amino]carbonyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl]-1-methylethyl]carbamate
[1-[4-(4-Fluorobenzylcarbamoyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl]-1-methylethyl]carbamic acid benzyl ester

Work with Phenylmethyl N-[1-[4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-2-pyrimidinyl]-1-methylethyl]carbamate

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

Methyl 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylate888504-27-667 % similar 2-(1-Amino-1-methylethyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide518048-03-864 % similar Raltegravir518048-05-057 % similar Methyl 1,6-dihydro-5-hydroxy-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-4-pyrimidinecarboxylate519032-08-744 % similar 1-[[(Phenylmethoxy)carbonyl]amino]cyclopropanecarboxylic acid84677-06-536 % similar O-(1,1-Dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-tyrosine5545-54-033 % similar N-Benzyloxycarbonylglycine methyl ester1212-53-933 % similar Benzyloxycarbonylglycine1138-80-333 % similar

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

Elsewhere

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