TL;DR: Pyrido(4,3-d)pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl- (CAS 112500-71-7) is a chemical compound with molecular formula C9H9N3O2 and molecular weight 191.06947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione
Also Known As: 1,3-Dimethylpyrido(4,3-d)pyrimidine-2,4(1H,3H)-dione, Pyrido(4,3-d)pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl-, 1,3-dimethylpyrido[4,3-d]pyrimidine-2,4-dione, 1,3-Dimethylpyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl-1H,2H,3H,4H-pyrido[4,3-d]pyrimidine-2,4-dione
| Molecular Formula | C9H9N3O2 |
| Molecular Weight | 191.06947 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 53.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.06947 Da |
| Heavy Atoms | 14 |
| Complexity | 279.0 |
| SMILES | CN1C2=C(C=NC=C2)C(=O)N(C1=O)C |
| InChIKey | GXLUIUJUEVVCKL-UHFFFAOYSA-N |
The XLogP value of -0.3 indicates that Pyrido(4,3-d)pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.5 Ų, Pyrido(4,3-d)pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrido(4,3-d)pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl- 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 Pyrido(4,3-d)pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl- is 112500-71-7.
The molecular formula of Pyrido(4,3-d)pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl- is C9H9N3O2.
The molecular weight of Pyrido(4,3-d)pyrimidine-2,4(1H,3H)-dione, 1,3-dimethyl- is 191.06947 g/mol.
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