(2-Aminopyrimidin-5-yl)boronic acid

C₄H₆BN₃O₂CAS 936250-22-5138.92 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₆BN₃O₂
Molar mass: 138.92 g/mol
Exact mass: 139.0553 Da
Melting point: above 300 °C
logP: -2.43Crippen estimate
Polar surface area: 93.0 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 1

Identifiers

CAS number

936250-22-5

SMILES

N=c1ncc(B(O)O)c[nH]1

InChIKey

CGHYQZASLKERLV-UHFFFAOYSA-N

InChI

InChI=1S/C4H6BN3O2/c6-4-7-1-3(2-8-4)5(9)10/h1-2,9-10H,(H2,6,7,8)

Weigh it out

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

Names and synonyms

3 names

Boronic acid, B-(2-amino-5-pyrimidinyl)-
2-Aminopyrimidine-5-boronic acid
B-(2-Amino-5-pyrimidinyl)boronic acid

Work with (2-Aminopyrimidin-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-Amino-5-pyrimidinemethanol120747-85-547 % similar 5-Iodo-2-pyrimidinamine1445-39-247 % similar 5-Chloro-2-pyrimidinamine5428-89-747 % similar 2-Amino-5-bromopyrimidine7752-82-147 % similar B-(6-Amino-3-pyridinyl)boronic acid851524-96-445 % similar 2-Amino-5-pyrimidinecarboxylic acid3167-50-843 % similar 2-Chloropyrimidine-5-boronic acid1003845-06-442 % similar B-1H-Pyrrolo[2,3-B]pyridin-5-ylboronic acid944059-24-941 % similar

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

Elsewhere

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