2,6-Dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]carbamate

C₃₂H₃₆N₆O₄CAS 837422-57-8568.68 g/mol

Open in Covalent MOL file

Carbamate Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₃₂H₃₆N₆O₄
Molar mass: 568.68 g/mol
Exact mass: 568.2798 Da
logP: 5.94Crippen estimate
Polar surface area: 92.3 Å²
H-bond donors / acceptors: 1 / 9
Rotatable bonds: 8

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

837422-57-8

SMILES

CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C

InChIKey

NBTNHSGBRGTFJS-UHFFFAOYSA-N

InChI

InChI=1S/C32H36N6O4/c1-22-7-6-8-23(2)30(22)42-32(39)38(27-14-13-26(40-4)21-28(27)41-5)29-15-16-33-31(35-29)34-24-9-11-25(12-10-24)37-19-17-36(3)18-20-37/h6-16,21H,17-20H2,1-5H3,(H,33,34,35)

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Names and synonyms

1 names

Wh-4-023

Work with 2,6-Dimethylphenyl N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]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

Wz31461214265-56-138 % similar Wz40021213269-23-836 % similar Nvp-bgj398872511-34-732 % similar N-[3-[[5-Chloro-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]thio]phenyl]-2-propenamide1214265-57-232 % similar Cyc-116693228-63-632 % similar Brigatinib1197953-54-031 % similar Olmutinib1353550-13-631 % similar 1-(2,4-Dimethoxyphenyl)piperazine16015-75-131 % similar

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

Elsewhere

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