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1218790-00-1 | 2-Pyrimidinamine, N-(2-furanylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1218790-00-1 Catalog No: AG001684 MDL No:MFCD15143595
Product Description
Catalog Number:
AG001684
Chemical Name:
2-Pyrimidinamine, N-(2-furanylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1218790-00-1
Molecular Formula:
C15H20BN3O3
Molecular Weight:
301.1486
MDL Number:
MFCD15143595
IUPAC Name:
N-(furan-2-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
InChI:
InChI=1S/C15H20BN3O3/c1-14(2)15(3,4)22-16(21-14)11-8-17-13(18-9-11)19-10-12-6-5-7-20-12/h5-9H,10H2,1-4H3,(H,17,18,19)
InChI Key:
DWTQFBAKXPKFJY-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnc(nc1)NCc1ccco1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.16g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.153g/mol
Monoisotopic Mass:
301.16g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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