2-[4-(5-Bromopyrimidin-2-yl)piperazin-1-yl]ethanol

C₁₀H₁₅BrN₄OCAS 849021-42-7287.16 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Tertiary amine

Properties

Molecular formula: C₁₀H₁₅BrN₄O
Molar mass: 287.16 g/mol
Exact mass: 286.0429 Da
logP: 0.35Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

849021-42-7

SMILES

C1CN(CCN1CCO)C2=NC=C(C=N2)Br

InChIKey

ZZAGRUBMUDIADL-UHFFFAOYSA-N

InChI

InChI=1S/C10H15BrN4O/c11-9-7-12-10(13-8-9)15-3-1-14(2-4-15)5-6-16/h7-8,16H,1-6H2

Weigh it out

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

Work with 2-[4-(5-Bromopyrimidin-2-yl)piperazin-1-yl]ethanol

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

1-Aziridineethanol1072-52-243 % similar 1,4-Piperazinediethanol122-96-343 % similar N,N,N′,N′-Tetrakis(2-hydroxyethyl)ethylenediamine140-07-843 % similar 5-Bromo-N,N-dimethylpyrimidin-2-amine38696-21-841 % similar Triethanolamine102-71-639 % similar 1-Piperazineethanol103-76-436 % similar 5-Bromo-2(1H)-pyrimidinone214290-49-036 % similar 5-Bromo-2(1H)-pyrimidinone38353-06-936 % similar

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

Elsewhere

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