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873409-32-6 | 4(3H)-Pyrimidinone,2-amino-5-(phenylmethyl)-
CAS No: 873409-32-6 Catalog No: AG004L1C MDL No:
Product Description
Catalog Number:
AG004L1C
Chemical Name:
4(3H)-Pyrimidinone,2-amino-5-(phenylmethyl)-
CAS Number:
873409-32-6
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
IUPAC Name:
2-amino-5-benzyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C11H11N3O/c12-11-13-7-9(10(15)14-11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,12,13,14,15)
InChI Key:
JRPWGXPLAZQYJX-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(n1)O)Cc1ccccc1
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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