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101154-89-6 | 9H-Purin-6-amine, 9-[(2-fluorophenyl)methyl]-N-(1-methylethyl)-
CAS No: 101154-89-6 Catalog No: AG0003V2 MDL No:
Product Description
Catalog Number:
AG0003V2
Chemical Name:
9H-Purin-6-amine, 9-[(2-fluorophenyl)methyl]-N-(1-methylethyl)-
CAS Number:
101154-89-6
Molecular Formula:
C15H16FN5
Molecular Weight:
285.3194
IUPAC Name:
9-[(2-fluorophenyl)methyl]-N-propan-2-ylpurin-6-amine
InChI:
InChI=1S/C15H16FN5/c1-10(2)20-14-13-15(18-8-17-14)21(9-19-13)7-11-5-3-4-6-12(11)16/h3-6,8-10H,7H2,1-2H3,(H,17,18,20)
InChI Key:
AAXWJAHBVLDKJZ-UHFFFAOYSA-N
SMILES:
CC(Nc1ncnc2c1ncn2Cc1ccccc1F)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.139g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.326g/mol
Monoisotopic Mass:
285.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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