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2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinylboronic acid

2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinylboronic acid

Inquiry

Molecular Formula:

C4H5BN2O4

Molecular Weight:

155.90

CAS Number:

70523-22-7

Catalog Number:

70523-22-7

Product Information

Molecular Formula:

C4H5BN2O4

Molecular Weight:

155.90

Description

2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinylboronic Acid is a biomedical compound used in the research and development of antiviral drugs. It plays a pivotal role in studies focusing on the treatment of diseases instigated by viral infections, specifically RNA viruses.

Synonyms

IFLAB-BB F1371-0152; 2,4-DIHYDROXYPYRIMIDINE-5-BORONIC ACID; 2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINYLBORONIC ACID; 2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YLBORONIC ACID; 2,4-DIOXOPYRIMIDINE-5-BORONIC ACID; 1,2,3,4-TETRAHYDRO-2,4-DIOXOPYRIMIDINE-5-BORONIC A

IUPAC Name

(2,4-dioxo-1H-pyrimidin-5-yl)boronic acid

Canonical SMILES

B(C1=CNC(=O)NC1=O)(O)O

InChI

InChI=1S/C4H5BN2O4/c8-3-2(5(10)11)1-6-4(9)7-3/h1,10-11H,(H2,6,7,8,9)

InChI Key

PVEJOCQTIVCDNO-UHFFFAOYSA-N

Melting Point

300°C

Flash Point

Not applicable

Purity

95%

Density

1.61 g/cm3

Safety Information

Hazards

H315 - H318 - H335

Precautionary Statement

P261 - P280 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

156.0342368 g/mol

Monoisotopic Mass

156.0342368 g/mol

Topological Polar Surface Area

98.7Å²

Heavy Atom Count

Formal Charge

Complexity

236

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

Patents

Publication Number	Title	Priority Date
AU-2017295863-A1	Inhibitors of cyclin-dependent kinase 7 (CDK7)	2016-07-13
BR-112019000716-A2	cyclin dependent kinase inhibitors (cdk7)	2016-07-13
EP-3484871-A1	Inhibitors of cyclin-dependent kinase 7 (cdk7)	2016-07-13
JP-2019527217-A	Inhibitors of cyclin dependent kinase 7 (CDK7)	2016-07-13
KR-20190038841-A	Inhibitors of cyclin-dependent kinase 7 (CDK7)	2016-07-13
WO-2018013867-A1	Inhibitors of cyclin dependnt kinase 7 (cdk7)	2016-07-13
US-2016280688-A1	Substituted phenylalanine derivatives	2013-09-26
WO-2013067302-A1	Method of treatment	2011-11-04
EP-2755962-A1	Azaindazoles	2011-09-13
US-2014343056-A1	Azaindazoles	2011-09-13

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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