TL;DR: 6-(3-Hydroxypropyl)thymine (CAS 156569-47-0) is a chemical compound with molecular formula C8H12N2O3 and molecular weight 184.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione
Also Known As: 6-hydroxypropylthymine, 6-(3-hydroxypropyl)thymine, 6-(3-hydroxypropyl)-5-methylpyrimidine-2,4(1H,3H)-dione, 6-(3-hydroxypropyl)-5-methyl-1H-pyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, 6-(3-hydroxypropyl)-5-methyl-
| Molecular Formula | C8H12N2O3 |
| Molecular Weight | 184.0848 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.0848 Da |
| Heavy Atoms | 13 |
| Complexity | 271.0 |
| SMILES | CC1=C(NC(=O)NC1=O)CCCO |
| InChIKey | OIEJBPVNLZZLGQ-UHFFFAOYSA-N |
The XLogP value of -0.7 indicates that 6-(3-Hydroxypropyl)thymine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3-Hydroxypropyl)thymine. Following Lipinski's Rule of Five, 6-(3-Hydroxypropyl)thymine has 3 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-(3-Hydroxypropyl)thymine is 156569-47-0.
The molecular formula of 6-(3-Hydroxypropyl)thymine is C8H12N2O3.
The molecular weight of 6-(3-Hydroxypropyl)thymine is 184.0848 g/mol.
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