4,6-Dichloro-5-(2-methoxyphenoxy)-2,2′-bipyrimidine

C₁₅H₁₀Cl₂N₄O₂CAS 150728-13-5349.17 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₅H₁₀Cl₂N₄O₂
Molar mass: 349.17 g/mol
Exact mass: 348.0181 Da
logP: 4.04Crippen estimate
Polar surface area: 70.0 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage12.5% of notifiers
H315 Causes skin irritation75% of notifiers
H317 May cause an allergic skin reaction37.5% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation37.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

150728-13-5

SMILES

COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1Cl

InChIKey

IZGOBGVYADHVKH-UHFFFAOYSA-N

InChI

InChI=1S/C15H10Cl2N4O2/c1-22-9-5-2-3-6-10(9)23-11-12(16)20-15(21-13(11)17)14-18-7-4-8-19-14/h2-8H,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

2,2′-Bipyrimidine, 4,6-dichloro-5-(2-methoxyphenoxy)-
4,6-Dichloro-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)pyrimidine
4,6-Dichloro-5-(2-methoxyphenoxy)-2,2′-dipyrimidine
4,6-Dichloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidine

Work with 4,6-Dichloro-5-(2-methoxyphenoxy)-2,2′-bipyrimidine

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

4-tert-Butyl-N-(6-chloro-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamide150727-06-358 % similar 2-Chloro-3-methoxypyridine52605-96-651 % similar 2-Methoxyphenyl phenyl ether1695-04-140 % similar 1,2-Dimethoxybenzene91-16-740 % similar 8-Methoxyquinoline938-33-040 % similar 2,4-Dichloro-8-methoxyquinazoline61948-60-539 % similar 2,3-Dimethoxypyridine52605-97-739 % similar Bosentan147536-97-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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