TL;DR: 6-Amino-1-ethyl-3-propyl-2,4(1H,3H)-pyrimidinedione (CAS 63981-31-7) is a chemical compound with molecular formula C9H15N3O2 and molecular weight 197.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-1-ethyl-3-propylpyrimidine-2,4-dione
Also Known As: 6-Amino-1-ethyl-3-propyluracil, 6-amino-1-ethyl-3-propylpyrimidine-2,4(1h,3h)-dione, 6-Amino-1-ethyl-3-propyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, 6-amino-1-ethyl-3-propylpyrimidine-2,4-dione, Uracil, 6-amino-1-ethyl-3-propyl-
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H15N3O2 |
| Molecular Weight | 197.11642 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 66.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.11642 Da |
| Heavy Atoms | 14 |
| Complexity | 286.0 |
| SMILES | CCCN1C(=O)C=C(N(C1=O)CC)N |
| InChIKey | YPSQTTRYMSZAGR-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-1-ethyl-3-propyl-2,4(1H,3H)-pyrimidinedione. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-1-ethyl-3-propyl-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, 6-Amino-1-ethyl-3-propyl-2,4(1H,3H)-pyrimidinedione has 1 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 6-Amino-1-ethyl-3-propyl-2,4(1H,3H)-pyrimidinedione is 63981-31-7.
The molecular formula of 6-Amino-1-ethyl-3-propyl-2,4(1H,3H)-pyrimidinedione is C9H15N3O2.
The molecular weight of 6-Amino-1-ethyl-3-propyl-2,4(1H,3H)-pyrimidinedione is 197.11642 g/mol.
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