(2,4-Dimethoxypyrimidin-5-yl)boronic acid

C₆H₉BN₂O₄CAS 89641-18-9183.96 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₆H₉BN₂O₄
Molar mass: 183.96 g/mol
Exact mass: 184.0655 Da
logP: -1.83Crippen estimate
Polar surface area: 84.7 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 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

89641-18-9

SMILES

B(C1=CN=C(N=C1OC)OC)(O)O

InChIKey

LKGKUACPLXCVOF-UHFFFAOYSA-N

InChI

InChI=1S/C6H9BN2O4/c1-12-5-4(7(10)11)3-8-6(9-5)13-2/h3,10-11H,1-2H3

Weigh it out

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

Names and synonyms

1 names

2,4-Dimethoxyprimidine-5-boronic acid

Work with (2,4-Dimethoxypyrimidin-5-yl)boronic acid

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-Methoxypyrimidine-5-boronic acid628692-15-955 % similar 2,6-Dimethoxypyridine-3-boronic acid221006-70-853 % similar 5-Iodo-2,4-dimethoxypyrimidine52522-99-351 % similar 5-Bromo-2,4-dimethoxypyrimidine56686-16-951 % similar Boronic acid, [2,4-bis(1,1-dimethylethoxy)-5-pyrimidinyl]-, monohydrate306935-93-351 % similar (5-Chloro-2-methoxypyridin-3-yl)boronic acid943153-22-849 % similar (2-Methoxypyridin-3-yl)boronic acid163105-90-649 % similar 2,4-Dimethoxypyrimidine-5-carbaldehyde52606-02-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook