TL;DR: 1,3-Dimethyl-5-(3-phenyl-allylidene)-pyrimidine-2,4,6-trione (CAS 115984-23-1) is a chemical compound with molecular formula C15H14N2O3 and molecular weight 270.10043 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
Also Known As: BAS 00474024, 1,3-Dimethyl-5-(3-phenyl-allylidene)-pyrimidine-2,4,6-trione, 5-cinnamylidene 1,3-dimethylbarbituric acid, (E)-1,3-dimethyl-5-(3-phenylallylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, F0777-1023
| Molecular Formula | C15H14N2O3 |
| Molecular Weight | 270.10043 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.10043 Da |
| Heavy Atoms | 20 |
| Complexity | 461.0 |
| SMILES | CN1C(=O)C(=C/C=C/C2=CC=CC=C2)C(=O)N(C1=O)C |
| InChIKey | LPVZBHMLVXKEEV-RMKNXTFCSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-5-(3-phenyl-allylidene)-pyrimidine-2,4,6-trione. With a topological polar surface area (TPSA) of 57.7 Ų, 1,3-Dimethyl-5-(3-phenyl-allylidene)-pyrimidine-2,4,6-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-5-(3-phenyl-allylidene)-pyrimidine-2,4,6-trione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Dimethyl-5-(3-phenyl-allylidene)-pyrimidine-2,4,6-trione is 115984-23-1.
The molecular formula of 1,3-Dimethyl-5-(3-phenyl-allylidene)-pyrimidine-2,4,6-trione is C15H14N2O3.
The molecular weight of 1,3-Dimethyl-5-(3-phenyl-allylidene)-pyrimidine-2,4,6-trione is 270.10043 g/mol.
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