5-Chloro-N2-[4-[4-(dimethylamino)-1-piperidinyl]-2-methoxyphenyl]-N4-[2-(dimethylphosphinyl)phenyl]-2,4-pyrimidinediamine

C₂₆H₃₄ClN₆O₂PCAS 1197958-12-5529.02 g/mol

Open in Covalent MOL file

Aryl halide Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₂₆H₃₄ClN₆O₂P
Molar mass: 529.02 g/mol
Exact mass: 528.2169 Da
logP: 4.83Crippen estimate
Polar surface area: 85.8 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 7

Identifiers

CAS number

1197958-12-5

SMILES

COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(=Nc2ccccc2P(C)(C)=O)[nH]1

InChIKey

OVDSPTSBIQCAIN-UHFFFAOYSA-N

InChI

InChI=1S/C26H34ClN6O2P/c1-32(2)18-12-14-33(15-13-18)19-10-11-21(23(16-19)35-3)30-26-28-17-20(27)25(31-26)29-22-8-6-7-9-24(22)36(4,5)34/h6-11,16-18H,12-15H2,1-5H3,(H2,28,29,30,31)

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Names and synonyms

1 names

2,4-Pyrimidinediamine, 5-chloro-N2-[4-[4-(dimethylamino)-1-piperidinyl]-2-methoxyphenyl]-N4-[2-(dimethylphosphinyl)phenyl]-

Work with 5-Chloro-N2-[4-[4-(dimethylamino)-1-piperidinyl]-2-methoxyphenyl]-N4-[2-(dimethylphosphinyl)phenyl]-2,4-pyrimidinediamine

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

5-Chloro-N2-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-2,4-pyrimidinediamine761439-42-363 % similar Brigatinib1197953-54-056 % similar 1-(4-Amino-3-methoxyphenyl)-N,N-dimethyl-4-piperidinamine1089279-91-339 % similar Ceritinib1032900-25-637 % similar Wz40021213269-23-836 % similar (2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide1197953-49-333 % similar 1-[1-(3-Methoxy-4-nitrophenyl)-4-piperidinyl]-4-methylpiperazine761440-65-731 % similar

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

Elsewhere

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