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1218789-33-3 | 2-Pyrimidinamine, N-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1218789-33-3 Catalog No: AG00166K MDL No:MFCD07375178
Product Description
Catalog Number:
AG00166K
Chemical Name:
2-Pyrimidinamine, N-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1218789-33-3
Molecular Formula:
C13H20BN3O2
Molecular Weight:
261.1278
MDL Number:
MFCD07375178
IUPAC Name:
N-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
InChI:
InChI=1S/C13H20BN3O2/c1-12(2)13(3,4)19-14(18-12)9-7-15-11(16-8-9)17-10-5-6-10/h7-8,10H,5-6H2,1-4H3,(H,15,16,17)
InChI Key:
QNCUDGRKLRQDMW-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnc(nc1)NC1CC1
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.165g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.132g/mol
Monoisotopic Mass:
261.165g/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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