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Home > Pyridines > 1105224-27-8
1105224-27-8 | N4-(4-METHOXYPHENYL)-N6-(PYRIDIN-2-YLMETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE+
CAS No: 1105224-27-8 Catalog No: AG01ASBQ MDL No:MFCD12009136
Product Description
Catalog Number:
AG01ASBQ
Chemical Name:
N4-(4-METHOXYPHENYL)-N6-(PYRIDIN-2-YLMETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE+
CAS Number:
1105224-27-8
Molecular Formula:
C18H17N7O
Molecular Weight:
347.3739
MDL Number:
MFCD12009136
IUPAC Name:
4-N-(4-methoxyphenyl)-6-N-(pyridin-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
InChI:
InChI=1S/C18H17N7O/c1-26-14-7-5-12(6-8-14)22-16-15-11-21-25-17(15)24-18(23-16)20-10-13-4-2-3-9-19-13/h2-9,11H,10H2,1H3,(H3,20,21,22,23,24,25)
InChI Key:
KSONBAGYDDIGJJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Nc1nc(NCc2ccccn2)nc2c1cn[nH]2
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.149g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
347.382g/mol
Monoisotopic Mass:
347.149g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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