2-dimethylaminopyrimidinyl-5-boronic acid

Inquiry

Molecular Formula:

C6H10BN3O2

Molecular Weight:

166.97

Product Information

Molecular Formula:

C6H10BN3O2

Molecular Weight:

166.97

Description

2-dimethylaminopyrimidinyl-5-boronic acid is a pharmaceutical intermediate widely used in organic synthesis. It has had a major impact in making inhibitors of cancer-specific enzymes.

Synonyms

[2-(Dimethylamino)pyrimidin-5-yl]boronic acid; 2-(dimethylamino)pyrimidin-5-ylboronic acid; BORONIC ACID, [2-(DIMETHYLAMINO)-5-PYRIMIDINYL]-; Boronic acid, [2-(dimethylamino)-5-pyrimidinyl]- (9CI); 2-(Dimethylamino)pyrimidine-5-boronic Acid; 2-dimethylamino-pyrimidin-5-boronic acid; (2-(Dimethylamino)pyrimidin-5-yl)boronicacid; 2-dimethylaminopyrimidinyl-5-boronic acid; 2-(N,N-DIMETHYLAMINO)PYRIMIDINE-5-BORONIC ACID

IUPAC Name

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

Canonical SMILES

B(C1=CN=C(N=C1)N(C)C)(O)O

InChI

InChI=1S/C6H10BN3O2/c1-10(2)6-8-3-5(4-9-6)7(11)12/h3-4,11-12H,1-2H3

InChI Key

JHGMROYFIMQNCI-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H317

Precautionary Statement

P280

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

167.0866067 g/mol

Monoisotopic Mass

167.0866067 g/mol

Topological Polar Surface Area

69.5Å²

Heavy Atom Count

Formal Charge

Complexity

137

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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2-dimethylaminopyrimidinyl-5-boronic acid

Product Information

Safety Information

Computed Properties

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