2-Bromo-5-methoxypyrimidine

C5H5BrN2OCAS 1209459-99-3189.01 g/mol

Open in Covalent MOL file
ONNBr
Aryl halideEther

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
1209459-99-3
SMILES
COC1=CN=C(N=C1)Br
InChIKey
DPZWHUYAABAFKP-UHFFFAOYSA-N
InChI
InChI=1S/C5H5BrN2O/c1-9-4-2-7-5(6)8-3-4/h2-3H,1H3

Weigh it out

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

Work with 2-Bromo-5-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-Chloro-5-methoxypyrimidine22536-65-856 % similar 2-Amino-5-methoxypyrimidine13418-77-454 % similar 2-Bromo-5-methoxypyridine105170-27-254 % similar 2-Bromo-5-methylpyrimidine150010-20-148 % similar 2,5-Dimethoxy pyridine867267-24-146 % similar 2,5-Dibromopyrimidine32779-37-646 % similar 5-Methoxypicolinaldehyde22187-96-844 % similar 2-Amino-5-methoxypyridine10167-97-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2-methoxypyrimidine14001-66-2 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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