TL;DR: 4-amino-1-[(3S,4R)-3,5-dihydroxy-4-methoxy-pentyl]pyrimidin-2-one (CAS 139870-63-6) is a chemical compound with molecular formula C10H17N3O4 and molecular weight 243.1219 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-1-[(3S,4R)-3,5-dihydroxy-4-methoxypentyl]pyrimidin-2-one
Also Known As: 1-(4-O-methyl-2-deoxy-D-ribityl)cytosine, 4-amino-1-[(3S,4R)-3,5-dihydroxy-4-methoxypentyl]pyrimidin-2-one, 4-amino-1-[(3S,4R)-3,5-dihydroxy-4-methoxy-pentyl]pyrimidin-2-one, 4-Amino-1-((3'S,4'R)-3',5'-dihydroxy-4'-methoxypentyl)-(1H)-pyrimidin-2-one
| Molecular Formula | C10H17N3O4 |
| Molecular Weight | 243.1219 g/mol |
| XLogP | -2.1 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 243.1219 Da |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
| SMILES | CO[C@H](CO)[C@H](CCN1C=CC(=NC1=O)N)O |
| InChIKey | REXGHTVJFCRRSR-JGVFFNPUSA-N |
The XLogP value of -2.1 indicates that 4-amino-1-[(3S,4R)-3,5-dihydroxy-4-methoxy-pentyl]pyrimidin-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-1-[(3S,4R)-3,5-dihydroxy-4-methoxy-pentyl]pyrimidin-2-one. Following Lipinski's Rule of Five, 4-amino-1-[(3S,4R)-3,5-dihydroxy-4-methoxy-pentyl]pyrimidin-2-one has 3 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 4-amino-1-[(3S,4R)-3,5-dihydroxy-4-methoxy-pentyl]pyrimidin-2-one is 139870-63-6.
The molecular formula of 4-amino-1-[(3S,4R)-3,5-dihydroxy-4-methoxy-pentyl]pyrimidin-2-one is C10H17N3O4.
The molecular weight of 4-amino-1-[(3S,4R)-3,5-dihydroxy-4-methoxy-pentyl]pyrimidin-2-one is 243.1219 g/mol.
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