TL;DR: 2,4(1H,3H)-Pyrimidinedione, 5-[methyl(phenylmethyl)amino]- (CAS 141692-27-5) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[benzyl(methyl)amino]-1H-pyrimidine-2,4-dione
Also Known As: 5-(benzyl(methyl)-amino)uracil, 2,4(1H,3H)-Pyrimidinedione, 5-[methyl(phenylmethyl)amino]-, 5-[benzyl(methyl)amino]-1H-pyrimidine-2,4-dione, 5-[benzyl(methyl)amino]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C12H13N3O2 |
| Molecular Weight | 231.10077 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.10077 Da |
| Heavy Atoms | 17 |
| Complexity | 346.0 |
| SMILES | CN(CC1=CC=CC=C1)C2=CNC(=O)NC2=O |
| InChIKey | WGUSNQQQDQSGMD-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4(1H,3H)-Pyrimidinedione, 5-[methyl(phenylmethyl)amino]-. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4(1H,3H)-Pyrimidinedione, 5-[methyl(phenylmethyl)amino]-. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, 5-[methyl(phenylmethyl)amino]- has 2 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 2,4(1H,3H)-Pyrimidinedione, 5-[methyl(phenylmethyl)amino]- is 141692-27-5.
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, 5-[methyl(phenylmethyl)amino]- is C12H13N3O2.
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, 5-[methyl(phenylmethyl)amino]- is 231.10077 g/mol.
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