5-Bromo-2,4-dimethoxypyrimidine

C₆H₇BrN₂O₂CAS 56686-16-9219.04 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₆H₇BrN₂O₂
Molar mass: 219.04 g/mol
Exact mass: 217.9691 Da
logP: 1.26Crippen estimate
Polar surface area: 44.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

56686-16-9

SMILES

COC1=NC(=NC=C1Br)OC

InChIKey

QEZIMQMMEGPYTR-UHFFFAOYSA-N

InChI

InChI=1S/C6H7BrN2O2/c1-10-5-4(7)3-8-6(9-5)11-2/h3H,1-2H3

Weigh it out

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

Work with 5-Bromo-2,4-dimethoxypyrimidine

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

5-Bromo-2-chloro-4-methoxypyrimidine57054-92-965 % similar 5-Iodo-2,4-dimethoxypyrimidine52522-99-356 % similar 2,4-Dimethoxypyrimidine-5-carbaldehyde52606-02-751 % similar (2,4-Dimethoxypyrimidin-5-yl)boronic acid89641-18-951 % similar 5-Bromo-2-methoxypyrimidine14001-66-250 % similar 3,5-Dibromo-2-methoxypyridine13472-60-147 % similar 5-Bromo-6-methoxypyridin-2-amine1211533-83-346 % similar 3-Bromo-2-methoxypyridine13472-59-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid5775-88-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook