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101154-88-5 | 9H-Purin-6-amine, N-ethyl-9-[(2-fluorophenyl)methyl]-
CAS No: 101154-88-5 Catalog No: AG0003V3 MDL No:
Product Description
Catalog Number:
AG0003V3
Chemical Name:
9H-Purin-6-amine, N-ethyl-9-[(2-fluorophenyl)methyl]-
CAS Number:
101154-88-5
Molecular Formula:
C14H14FN5
Molecular Weight:
271.2929
IUPAC Name:
N-ethyl-9-[(2-fluorophenyl)methyl]purin-6-amine
InChI:
InChI=1S/C14H14FN5/c1-2-16-13-12-14(18-8-17-13)20(9-19-12)7-10-5-3-4-6-11(10)15/h3-6,8-9H,2,7H2,1H3,(H,16,17,18)
InChI Key:
UIUUZMMHQPNEMB-UHFFFAOYSA-N
SMILES:
CCNc1ncnc2c1ncn2Cc1ccccc1F
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.123g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.299g/mol
Monoisotopic Mass:
271.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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