N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine

C₂₀H₁₆FN₅O₃CAS 1421372-94-2393.38 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitro Secondary amine

Properties

Molecular formula: C₂₀H₁₆FN₅O₃
Molar mass: 393.38 g/mol
Exact mass: 393.1237 Da
logP: 4.43Crippen estimate
Polar surface area: 95.1 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1421372-94-2

SMILES

CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=CC(=C(C=C4OC)F)[N+](=O)[O-]

InChIKey

SZTYQQYYIMVETL-UHFFFAOYSA-N

InChI

InChI=1S/C20H16FN5O3/c1-25-11-13(12-5-3-4-6-17(12)25)15-7-8-22-20(23-15)24-16-10-18(26(27)28)14(21)9-19(16)29-2/h3-11H,1-2H3,(H,22,23,24)

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Names and synonyms

1 names

N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1H-indol-3-yl)pyrimidin-2-amine

Work with N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine

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

N1-[2-(Dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]-2-nitro-1,4-benzenediamine1421372-67-972 % similar Mutated egfr-in-11421372-66-857 % similar Osimertinib1421373-65-050 % similar Osimertinib mesylate1421373-66-147 % similar 3-(2-Chloropyrimidin-4-yl)-1-methyl-1H-indole1032452-86-041 % similar 4-Fluoro-2-methoxy-5-nitroaniline1075705-01-939 % similar Tak-7881847461-43-137 % similar Az-51041421373-98-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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