Pyrimidine-5-boronic acid pinacol ester

C10H15BN2O2CAS 321724-19-0206.05 g/mol

Open in Covalent MOL file
BOONN
Boronic ester

Properties

Molecular formula
C10H15BN2O2
Molar mass
206.05 g/mol
Exact mass
206.1227 Da
logP
0.78Crippen estimate
Polar surface area
44.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
321724-19-0
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=CN=C2
InChIKey
WSRGGSAGSUEJKQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H15BN2O2/c1-9(2)10(3,4)15-11(14-9)8-5-12-7-13-6-8/h5-7H,1-4H3

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Names and synonyms

1 names
  • Pyrimidine-5-boronic acid, pinacol ester

Work with Pyrimidine-5-boronic acid pinacol ester

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

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine329214-79-161 % similar 2-Chloropyrimidine-5-boronic acid pinacol ester1003845-08-660 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine181219-01-259 % similar 2-Aminopyrimidine-5-boronic acid pinacol ester402960-38-758 % similar 1,3,5-Phenyltriboronic acid, pinacol ester365564-05-258 % similar 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-158 % similar 3-Fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine719268-92-558 % similar 3-Chloro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine865186-94-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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