TL;DR: Pyrido(4,3-d)pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl-5-((1-methylethyl)amino)- (CAS 112500-72-8) is a chemical compound with molecular formula C12H16N4O2 and molecular weight 248.12732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidine-2,4-dione
Also Known As: 5-Isopropylamino-1,3-dimethylpyrido(4,3-d)pyrimidine-2,4-dione, 1,3-Dimethyl-5-((1-methylethyl)amino)pyrido(4,3-d)pyrimidine-2,4(1H,3H)-dione, Pyrido(4,3-d)pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl-5-((1-methylethyl)amino)-, 1,3-dimethyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidine-2,4-dione, 1,3-Dimethyl-5-[(propan-2-yl)amino]pyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C12H16N4O2 |
| Molecular Weight | 248.12732 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.12732 Da |
| Heavy Atoms | 18 |
| Complexity | 358.0 |
| SMILES | CC(C)NC1=NC=CC2=C1C(=O)N(C(=O)N2C)C |
| InChIKey | JDRTZSBOSALQLW-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrido(4,3-d)pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl-5-((1-methylethyl)amino)-. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrido(4,3-d)pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl-5-((1-methylethyl)amino)-. Following Lipinski's Rule of Five, Pyrido(4,3-d)pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl-5-((1-methylethyl)amino)- 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 Pyrido(4,3-d)pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl-5-((1-methylethyl)amino)- is 112500-72-8.
The molecular formula of Pyrido(4,3-d)pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl-5-((1-methylethyl)amino)- is C12H16N4O2.
The molecular weight of Pyrido(4,3-d)pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl-5-((1-methylethyl)amino)- is 248.12732 g/mol.
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