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101155-02-6 | 9H-Purin-6-amine, 9-[(2-fluorophenyl)methyl]-N-methyl-
CAS No: 101155-02-6 Catalog No: AG0003V1 MDL No:
Product Description
Catalog Number:
AG0003V1
Chemical Name:
9H-Purin-6-amine, 9-[(2-fluorophenyl)methyl]-N-methyl-
CAS Number:
101155-02-6
Molecular Formula:
C13H12FN5
Molecular Weight:
257.2663
IUPAC Name:
9-[(2-fluorophenyl)methyl]-N-methylpurin-6-amine
InChI:
InChI=1S/C13H12FN5/c1-15-12-11-13(17-7-16-12)19(8-18-11)6-9-4-2-3-5-10(9)14/h2-5,7-8H,6H2,1H3,(H,15,16,17)
InChI Key:
MZABAGHILOTTOD-UHFFFAOYSA-N
SMILES:
CNc1ncnc2c1ncn2Cc1ccccc1F
UNII:
DX8S5Q0N0S
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.108g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.272g/mol
Monoisotopic Mass:
257.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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