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127143-61-7 | 2(1H)-Pyrimidinone, 1-amino-5-benzoyl-4-phenyl-
CAS No: 127143-61-7 Catalog No: AG000WPH MDL No:
Product Description
Catalog Number:
AG000WPH
Chemical Name:
2(1H)-Pyrimidinone, 1-amino-5-benzoyl-4-phenyl-
CAS Number:
127143-61-7
Molecular Formula:
C17H13N3O2
Molecular Weight:
291.3040
IUPAC Name:
1-amino-5-benzoyl-4-phenylpyrimidin-2-one
InChI:
InChI=1S/C17H13N3O2/c18-20-11-14(16(21)13-9-5-2-6-10-13)15(19-17(20)22)12-7-3-1-4-8-12/h1-11H,18H2
InChI Key:
OKPQOISXQLDJCF-UHFFFAOYSA-N
SMILES:
O=C(c1cn(N)c(=O)nc1c1ccccc1)c1ccccc1
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.31g/mol
Monoisotopic Mass:
291.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Binuclear Cu(II) and Co(II) Complexes of Tridentate Heterocyclic Shiff Base Derived from Salicylaldehyde with 4-Aminoantipyrine. | Bioinorganic chemistry and applications 20120101 |
| Ultraviolet-visible study of tautomeric behavior of some carbonyl and thiocarbonyl pyrimidine derivatives: experimental evidence of enolization and thioketonization. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081101 |
| Electronic absorption study on acid-base equilibria for some keto and thioketo pyrimidine derivatives. Experimental and theoretical evidence of enolization and solute-solvent interactions. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070801 |
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