TL;DR: 1,3-Dimethyl-8-[(2-methylpiperidyl)methyl]-1,3,7-trihydropurine-2,6-dione (CAS 71798-30-6) is a chemical compound with molecular formula C14H21N5O2 and molecular weight 291.16953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7H-purine-2,6-dione
Also Known As: BAS 07401470, F1468-0050, AB00674466-01, 1,3-dimethyl-8-[(2-methylpiperidyl)methyl]-1,3,7-trihydropurine-2,6-dione, 1,3-dimethyl-8-((2-methylpiperidin-1-yl)methyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C14H21N5O2 |
| Molecular Weight | 291.16953 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.16953 Da |
| Heavy Atoms | 21 |
| Complexity | 443.0 |
| SMILES | CC1CCCCN1CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C |
| InChIKey | SPDOOKVSZUQHGN-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-8-[(2-methylpiperidyl)methyl]-1,3,7-trihydropurine-2,6-dione. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-8-[(2-methylpiperidyl)methyl]-1,3,7-trihydropurine-2,6-dione. Following Lipinski's Rule of Five, 1,3-Dimethyl-8-[(2-methylpiperidyl)methyl]-1,3,7-trihydropurine-2,6-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Dimethyl-8-[(2-methylpiperidyl)methyl]-1,3,7-trihydropurine-2,6-dione is 71798-30-6.
The molecular formula of 1,3-Dimethyl-8-[(2-methylpiperidyl)methyl]-1,3,7-trihydropurine-2,6-dione is C14H21N5O2.
The molecular weight of 1,3-Dimethyl-8-[(2-methylpiperidyl)methyl]-1,3,7-trihydropurine-2,6-dione is 291.16953 g/mol.
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