200,000+ products from a single source!
sales@angenechem.com
79953-08-5 | 2-amino-8-(4-methylphenyl)-3,7-dihydro-6h-purin-6-one
CAS No: 79953-08-5 Catalog No: AG005EXE MDL No:
Product Description
Catalog Number:
AG005EXE
Chemical Name:
2-amino-8-(4-methylphenyl)-3,7-dihydro-6h-purin-6-one
CAS Number:
79953-08-5
Molecular Formula:
C12H11N5O
Molecular Weight:
241.2486
IUPAC Name:
2-amino-8-(4-methylphenyl)-1,7-dihydropurin-6-one
InChI:
InChI=1S/C12H11N5O/c1-6-2-4-7(5-3-6)9-14-8-10(15-9)16-12(13)17-11(8)18/h2-5H,1H3,(H4,13,14,15,16,17,18)
InChI Key:
MAOSVRNCEHZUMH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc2c([nH]1)c(=O)nc([nH]2)N
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
241.254g/mol
Monoisotopic Mass:
241.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.