TL;DR: 6-Amino-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS 157927-49-6) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.09569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione
Also Known As: 6-amino-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione, 6-amino-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione, 6-AMINO-1-[(3-METHOXYPHENYL)METHYL]-3H-PYRIMIDINE-2,4-DIONE, G20844
| Molecular Formula | C12H13N3O3 |
| Molecular Weight | 247.09569 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.09569 Da |
| Heavy Atoms | 18 |
| Complexity | 381.0 |
| SMILES | COC1=CC=CC(=C1)CN2C(=CC(=O)NC2=O)N |
| InChIKey | SGKXVMBCGVGPAJ-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione. Following Lipinski's Rule of Five, 6-Amino-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione has 2 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 6-Amino-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione is 157927-49-6.
The molecular formula of 6-Amino-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione is C12H13N3O3.
The molecular weight of 6-Amino-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione is 247.09569 g/mol.
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