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1218790-01-2 | 2-Pyrimidinamine, N-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1218790-01-2 Catalog No: AG001683 MDL No:MFCD15143596
Product Description
Catalog Number:
AG001683
Chemical Name:
2-Pyrimidinamine, N-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
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
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