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717-88-4 | 2-amino-6-benzylpyrimidin-4(1H)-one
CAS No: 717-88-4 Catalog No: AG003GHY MDL No:
Product Description
Catalog Number:
AG003GHY
Chemical Name:
2-amino-6-benzylpyrimidin-4(1H)-one
CAS Number:
717-88-4
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
IUPAC Name:
2-amino-4-benzyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C11H11N3O/c12-11-13-9(7-10(15)14-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,12,13,14,15)
InChI Key:
ICVOELCHCKJETJ-UHFFFAOYSA-N
SMILES:
O=c1cc(Cc2ccccc2)[nH]c(n1)N
NSC Number:
82143
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.229g/mol
Monoisotopic Mass:
201.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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