TL;DR: 2(1H)-Pyrimidinone, 4-amino-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)- (CAS 125057-04-7) is a chemical compound with molecular formula C13H15N3O3S and molecular weight 293.0834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-1-(2-hydroxyethoxymethyl)-6-phenylsulfanylpyrimidin-2-one
Also Known As: HEPT derivative, 2(1H)-Pyrimidinone, 4-amino-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)-, 1-[(2-Hydroxyethoxy)methyl]-6-phenylthiocytosine, 4-amino-1-(2-hydroxyethoxymethyl)-6-phenylsulfanyl-pyrimidin-2-one, 4-amino-1-(2-hydroxyethoxymethyl)-6-phenylsulfanylpyrimidin-2-one
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H15N3O3S |
| Molecular Weight | 293.0834 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.0834 Da |
| Heavy Atoms | 20 |
| Complexity | 406.0 |
| SMILES | C1=CC=C(C=C1)SC2=CC(=NC(=O)N2COCCO)N |
| InChIKey | QLLBSOSMKJRSDB-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Pyrimidinone, 4-amino-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)-. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(1H)-Pyrimidinone, 4-amino-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)-. Following Lipinski's Rule of Five, 2(1H)-Pyrimidinone, 4-amino-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)- 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 2(1H)-Pyrimidinone, 4-amino-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)- is 125057-04-7.
The molecular formula of 2(1H)-Pyrimidinone, 4-amino-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)- is C13H15N3O3S.
The molecular weight of 2(1H)-Pyrimidinone, 4-amino-1-((2-hydroxyethoxy)methyl)-6-(phenylthio)- is 293.0834 g/mol.
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