5-Bromo-2-methoxypyrimidine

C₅H₅BrN₂OCAS 14001-66-2189.01 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₅H₅BrN₂O
Molar mass: 189.01 g/mol
Exact mass: 187.9585 Da
logP: 1.25Crippen estimate
Polar surface area: 35.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation16.7% of notifiers
H317 May cause an allergic skin reaction83.3% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H335 May cause respiratory irritation14.6% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

14001-66-2

SMILES

COC1=NC=C(C=N1)Br

InChIKey

DWVCZDMMGYIULX-UHFFFAOYSA-N

InChI

InChI=1S/C5H5BrN2O/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names

Pyrimidine, 5-bromo-2-methoxy-

Work with 5-Bromo-2-methoxypyrimidine

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

2-Methoxypyrimidin-5-amine56621-89-754 % similar 5-Bromo-2-methoxypyridine13472-85-054 % similar 3,5-Dibromo-2-methoxypyridine13472-60-150 % similar 5-Bromo-2,4-dimethoxypyrimidine56686-16-950 % similar 2-Methoxy-pyrimidine-5-carbaldehyde90905-32-150 % similar 5-Bromo-3-methoxy-2-methylpyridine1150617-80-348 % similar 5-Bromo-2-methoxy-3-methylpyridine760207-87-248 % similar 2-Methoxypyrimidine-5-boronic acid628692-15-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-5-methoxypyrimidine1209459-99-3 4-Bromo-1-methyl-1H-imidazole-5-carbaldehyde141524-74-5 2-Bromo-5-methoxypyrazine143250-10-6 3-Bromo-6-methoxypyridazine17321-29-8 2-Amino-5-bromo-3-hydroxypyridine39903-01-0 4-Bromo-6-methyl-2H-pyridazin-3-one954240-46-1 3-Amino-5-bromo-pyridin-2-ol98786-86-8

Elsewhere

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