2-Aminopyrimidine-5-boronic acid pinacol ester

C₁₀H₁₆BN₃O₂CAS 402960-38-7221.07 g/mol

Open in Covalent MOL file

Boronic ester Primary amine

Properties

Molecular formula: C₁₀H₁₆BN₃O₂
Molar mass: 221.07 g/mol
Exact mass: 221.1336 Da
logP: 0.36Crippen estimate
Polar surface area: 70.3 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 1

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

402960-38-7

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N

InChIKey

BPQVMIDUTRJYSC-UHFFFAOYSA-N

InChI

InChI=1S/C10H16BN3O2/c1-9(2)10(3,4)16-11(15-9)7-5-13-8(12)14-6-7/h5-6H,1-4H3,(H2,12,13,14)

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Names and synonyms

1 names

2-Aminopyrimidine-5-boronic acid, pinacol ester

Work with 2-Aminopyrimidine-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

2-Chloropyrimidine-5-boronic acid pinacol ester1003845-08-665 % similar 2-Fluoro-5-(4 4 5 5-tetramethyl-(1 3 2)&444120-95-056 % similar 2-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine214360-62-053 % similar 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine444120-94-953 % similar 1,3,5-Phenyltriboronic acid, pinacol ester365564-05-252 % similar 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline214360-73-352 % similar 2-Aminopyridine-4-boronic acid pinacol ester1195995-72-251 % similar 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine445264-61-951 % similar

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

Elsewhere

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