4,4'-(6-Chloropyrimidine-2,4-diyl)dimorpholine

C₁₂H₁₇ClN₄O₂CAS 10244-24-3284.74 g/mol

Open in Covalent MOL file

Aryl halide Ether Tertiary amine

Properties

Molecular formula: C₁₂H₁₇ClN₄O₂
Molar mass: 284.74 g/mol
Exact mass: 284.1040 Da
logP: 0.80Crippen estimate
Polar surface area: 50.7 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

10244-24-3

SMILES

C1COCCN1C2=CC(=NC(=N2)N3CCOCC3)Cl

InChIKey

KIWUTYCMQNZUPX-UHFFFAOYSA-N

InChI

InChI=1S/C12H17ClN4O2/c13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17/h9H,1-8H2

Weigh it out

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

Work with 4,4'-(6-Chloropyrimidine-2,4-diyl)dimorpholine

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-(4,6-Dichloropyrimidin-2-yl)morpholine10397-13-480 % similar 2,4-Dichloro-6-morpholino-1,3,5-triazine6601-22-558 % similar Buparlisib1202777-78-342 % similar Buparlisib944396-07-042 % similar 4-(3-Chloropyridin-2-yl)morpholine54231-36-638 % similar 1,6-Bis(2,2,6,6-tetramethyl-4-piperidylamino)hexane-2,4-dichloro-6-morpholino-s-triazine copolymer82451-48-738 % similar 3-(Morpholin-4-yl)aniline159724-40-037 % similar 4-(5-Bromopyridin-2-yl)morpholine200064-11-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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