CAS 89641-18-9|2,4-Dimethoxypyrimidine-5-boronic acid|(2,4-dimethoxypyrimidin-5-yl)boronic acid|2,4-dimethoxypyrimidin-5-ylboronic acid|5-Borono-2,3-dimethoxypyrimidine|2,4-dimethoxy-5-Pyrimidinebor...

General Information

Structure

Molecular Formula

C₆H₉BN₂O₄

Molecular Mass

183.95766

Exact Mass

184.06553718

Charge

InChI

InChI=1S/C6H9BN2O4/c1-12-5-4(7(10)11)3-8-6(9-5)13-2/h3,10-11H,1-2H3

InChIKey

LKGKUACPLXCVOF-UHFFFAOYSA-N

Canonic Smiles

COc1nc(OC)ncc1B(O)O

Isomeric Smiles

c1(ncc(c(n1)OC)B(O)O)OC

Calculated Properties

JChem

Acid pKa

7.8954678

H Acceptors

H Donor

LogD (pH = 5.5)

0.3783361

LogD (pH = 7.4)

0.26014578

Log P

0.3801

Molar Refractivity

40.4537

Polarizability

16.911373

Polar Surface Area

84.7

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2,4-Dimethoxypyrimidine-5-boronic acid5-Borono-2,3-dimethoxypyrimidine2,4-dimethoxy-5-Pyrimidineboronic acid2,4-Dimethoxypyrimidine-5-boronic acid2,4-二甲氧基嘧啶-5-硼酸(2,4-Dimethoxypyrimidin-5-yl)boronic acid2,4-二甲氧基-5-嘧啶硼酸(2,6-Dimethoxypyrimidin-5-yl)boronic acid2,4-Dimethoxy-5-pyrimidinylboronic acid

IUPAC name

(2,4-dimethoxypyrimidin-5-yl)boronic acid

IUPAC Traditional name

2,4-dimethoxypyrimidin-5-ylboronic acid

Names and Identifiers

Registration numbers

MDL Number

MFCD01318985

CAS Number

89641-18-9

PubChem SID

24884801160971735