N-cyclopentyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
Product Information
Molecular Formula
C15H24BN3O2
Molecular Weight
289.18
Description
N-cyclopentyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine is a potent biomedicine compound that serves as a targeted therapy agent effectively restraining the proliferation of specific cancer cells. Its exceptional selectivity and potency in combating malignancies render it an indispensable tool in the realm of oncology research and drug development.
Synonyms
2-(CYCLOPENTYLAMINO)PYRIMIDINE-5-BORONIC ACID, PINACOL ESTER; 2-(Cyclopentylamino)pyrimidine-5-boronic acid pinacol ester; 2-(Cyclopentylamino)pyrimidine-5-boronic acid,pinacol ester; N-cyclopentyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
IUPAC Name
N-cyclopentyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)NC3CCCC3
InChI
InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)11-9-17-13(18-10-11)19-12-7-5-6-8-12/h9-10,12H,5-8H2,1-4H3,(H,17,18,19)
InChI Key
AEHCJEOTWNMLFO-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H301
Precautionary Statement
P301 + P310
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
289.1961572 g/mol
Monoisotopic Mass
289.1961572 g/mol
Topological Polar Surface Area
56.3Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
348
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
