2-((5-Chloro-2-((2-methoxy-4-morpholin-4-ylphenyl)amino)pyrimidin-4-yl)amino)-N-methylbenzamide

C₂₃H₂₅ClN₆O₃CAS 761437-28-9468.94 g/mol

Open in Covalent MOL file

Amide Aryl halide Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₂₃H₂₅ClN₆O₃
Molar mass: 468.94 g/mol
Exact mass: 468.1677 Da
logP: 3.82Crippen estimate
Polar surface area: 100.6 Å²
H-bond donors / acceptors: 3 / 8
Rotatable bonds: 7

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

761437-28-9

SMILES

CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCOCC4)OC

InChIKey

UYJNQQDJUOUFQJ-UHFFFAOYSA-N

InChI

InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)

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Names and synonyms

1 names

Tae226 (nvp-tae226)

Work with 2-((5-Chloro-2-((2-methoxy-4-morpholin-4-ylphenyl)amino)pyrimidin-4-yl)amino)-N-methylbenzamide

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

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

Elsewhere

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