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182484-98-6 | 2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-6-[(2-phenyl-2-oxiranyl)methyl]-
CAS No: 182484-98-6 Catalog No: AG0023WT MDL No:
Product Description
Catalog Number:
AG0023WT
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-6-[(2-phenyl-2-oxiranyl)methyl]-
CAS Number:
182484-98-6
Molecular Formula:
C15H16N2O3
Molecular Weight:
272.2991
IUPAC Name:
1,3-dimethyl-6-[(2-phenyloxiran-2-yl)methyl]pyrimidine-2,4-dione
InChI:
InChI=1S/C15H16N2O3/c1-16-12(8-13(18)17(2)14(16)19)9-15(10-20-15)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3
InChI Key:
RAYTWDPYNPTHLI-UHFFFAOYSA-N
SMILES:
O=c1cc(CC2(OC2)c2ccccc2)n(c(=O)n1C)C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.304g/mol
Monoisotopic Mass:
272.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Synthesis, biological evaluation, and pharmacophore generation of uracil, 4(3H)-pyrimidinone, and uridine derivatives as potent and selective inhibitors of parainfluenza 1 (Sendai) virus. | Journal of medicinal chemistry 20011220 |
| A potent and selective inhibition of parainfluenza 1 (Sendai) virus by new 6-oxiranyl-, 6-methyloxiranyluracils, and 4(3H)-pyrimidinone derivatives. | Bioorganic & medicinal chemistry letters 19980721 |
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