(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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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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 (2-Methoxypyridin-3-yl)boronic acid163105-90-649 % similar 2,4-Dimethoxypyrimidine-5-carbaldehyde52606-02-747 % similar 2,4-Bis(benzyloxy)pyrimidine-5-boronic acid70523-24-947 % similar

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

Elsewhere

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