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176370-51-7 | 2,4(1H,3H)-Pyrimidinedione, 6-amino-1-phenyl-3-propyl-
CAS No: 176370-51-7 Catalog No: AG0024MG MDL No:
Product Description
Catalog Number:
AG0024MG
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-amino-1-phenyl-3-propyl-
CAS Number:
176370-51-7
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
IUPAC Name:
6-amino-1-phenyl-3-propylpyrimidine-2,4-dione
InChI:
InChI=1S/C13H15N3O2/c1-2-8-15-12(17)9-11(14)16(13(15)18)10-6-4-3-5-7-10/h3-7,9H,2,8,14H2,1H3
InChI Key:
OFUAEGDSKYUBKC-UHFFFAOYSA-N
SMILES:
CCCn1c(=O)cc(n(c1=O)c1ccccc1)N
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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