(2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide

C₁₂H₁₂Cl₂N₃OPCAS 1197953-49-3316.12 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₁₂H₁₂Cl₂N₃OP
Molar mass: 316.12 g/mol
Exact mass: 315.0095 Da
logP: 3.78Crippen estimate
Polar surface area: 54.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

1197953-49-3

SMILES

CP(=O)(C)C1=CC=CC=C1NC2=NC(=NC=C2Cl)Cl

InChIKey

XIKUAKVCJMVXCI-UHFFFAOYSA-N

InChI

InChI=1S/C12H12Cl2N3OP/c1-19(2,18)10-6-4-3-5-9(10)16-11-8(13)7-15-12(14)17-11/h3-7H,1-2H3,(H,15,16,17)

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Names and synonyms

1 names

2,5-Dichloro-N-(2-(dimethylphosphoryl)phenyl)pyrimidin-4-amine

Work with (2-((2,5-Dichloropyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide

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

Brigatinib1197953-54-047 % similar (2-Aminophenyl)dimethylphosphine oxide1197953-47-135 % similar 5-Chloro-N2-[4-[4-(dimethylamino)-1-piperidinyl]-2-methoxyphenyl]-N4-[2-(dimethylphosphinyl)phenyl]-2,4-pyrimidinediamine1197958-12-533 % similar

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

Elsewhere

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