chempirical

[2-(Dimethylamino)pyrimidin-5-yl]boronic acid

C6H10BN3O2CAS 756817-82-0166.97 g/mol

Open in Covalent MOL file
BNNNHOHO
Boronic acidTertiary amine

Properties

Molecular formula
C6H10BN3O2
Molar mass
166.97 g/mol
Exact mass
167.0866 Da
logP
-1.78Crippen estimate
Polar surface area
69.5 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

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
756817-82-0
SMILES
B(C1=CN=C(N=C1)N(C)C)(O)O
InChIKey
JHGMROYFIMQNCI-UHFFFAOYSA-N
InChI
InChI=1S/C6H10BN3O2/c1-10(2)6-8-3-5(4-9-6)7(11)12/h3-4,11-12H,1-2H3

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Names and synonyms

1 names
  • Boronic acid, [2-(dimethylamino)-5-pyrimidinyl]- (9ci)

Work with [2-(Dimethylamino)pyrimidin-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-Chloropyrimidine-5-boronic acid1003845-06-452 % similar 5-Bromo-N,N-dimethyl-2-pyrimidinamine38696-21-850 % similar 2-Methoxypyrimidine-5-boronic acid628692-15-950 % similar 4-(Dimethylamino)phenylboronic acid28611-39-448 % similar 2-Methylpyridine-5-boronic acid659742-21-945 % similar (Pyrimidin-5-yl)boronic acid109299-78-744 % similar 3-(Dimethylamino)benzeneboronic acid178752-79-942 % similar (6-Fluoropyridin-3-yl)boronic acid351019-18-642 % similar

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

Elsewhere

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