5-[3-Methoxy-4-(4-methoxy-benzyloxy)-benzyl]-pyrimidine-2,4-diamine

C₂₀H₂₂N₄O₃CAS 870483-87-7366.42 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₂₀H₂₂N₄O₃
Molar mass: 366.42 g/mol
Exact mass: 366.1692 Da
logP: 2.83Crippen estimate
Polar surface area: 105.5 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 7

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 38 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

870483-87-7

SMILES

COC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC3=CN=C(N=C3N)N)OC

InChIKey

MYQAUKPBNJWPIE-UHFFFAOYSA-N

InChI

InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)

Weigh it out

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

Work with 5-[3-Methoxy-4-(4-methoxy-benzyloxy)-benzyl]-pyrimidine-2,4-diamine

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-Benzyloxy-3-methoxyphenylacetonitrile1700-29-440 % similar Benzyl isoeugenol120-11-637 % similar O-(4-Methoxybenzyl)hydroxylamine hydrochloride876-33-536 % similar 4-[(4-Fluorobenzyl)oxy]-3-methoxybenzenecarbaldehyde321432-05-735 % similar 4-[(4-Chlorobenzyl)oxy]-3-methoxybenzenecarbaldehyde70205-04-835 % similar 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-135 % similar 2-Amino-5-methoxypyrimidine13418-77-435 % similar Veratrylamine5763-61-135 % similar

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

Elsewhere

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