Home Boronic acids 2-(4-Methoxybenzylamino)pyrimidine-5-boronic acid, pinacol ester

2-(4-Methoxybenzylamino)pyrimidine-5-boronic acid, pinacol ester

CAS No.:
1218790-01-2
Catalog Number:
AG001683
Molecular Formula:
C18H24BN3O3
Molecular Weight:
341.2125
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$300
- +
5g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG001683
Chemical Name:
2-(4-Methoxybenzylamino)pyrimidine-5-boronic acid, pinacol ester
CAS Number:
1218790-01-2
Molecular Formula:
C18H24BN3O3
Molecular Weight:
341.2125
MDL Number:
MFCD15143596
IUPAC Name:
N-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
InChI:
InChI=1S/C18H24BN3O3/c1-17(2)18(3,4)25-19(24-17)14-11-21-16(22-12-14)20-10-13-6-8-15(23-5)9-7-13/h6-9,11-12H,10H2,1-5H3,(H,20,21,22)
InChI Key:
ZKEHIHHVZOMIFF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
417  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.191g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
341.218g/mol
Monoisotopic Mass:
341.191g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties