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1202805-22-8 | N-Cyclopentyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
CAS No: 1202805-22-8 Catalog No: AG003SXF MDL No:MFCD11878346
Product Description
Catalog Number:
AG003SXF
Chemical Name:
N-Cyclopentyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
CAS Number:
1202805-22-8
Molecular Formula:
C15H24BN3O2
Molecular Weight:
289.1810
MDL Number:
MFCD11878346
IUPAC Name:
N-cyclopentyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
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
SMILES:
CC1(C)OB(OC1(C)C)c1cnc(nc1)NC1CCCC1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.196g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.186g/mol
Monoisotopic Mass:
289.196g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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