TL;DR: 2-(Phenoxymethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine (CAS 128307-32-4) is a chemical compound with molecular formula C17H17N3OS and molecular weight 311.10922 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(phenoxymethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Also Known As: 2-(phenoxymethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, 2-(phenoxymethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine, 4-Amino-5,6,7,8-tetrahydro-2-phenoxymethyl[1]benzothieno[2,3-d]pyrimidine, 2-(phenoxymethyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine, 5-(phenoxymethyl)-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
| Molecular Formula | C17H17N3OS |
| Molecular Weight | 311.10922 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 89.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.10922 Da |
| Heavy Atoms | 22 |
| Complexity | 377.0 |
| SMILES | C1CCC2=C(C1)C3=C(N=C(N=C3S2)COC4=CC=CC=C4)N |
| InChIKey | BOYXRCCOXUCZFX-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 2-(Phenoxymethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Phenoxymethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine. Following Lipinski's Rule of Five, 2-(Phenoxymethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(Phenoxymethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine is 128307-32-4.
The molecular formula of 2-(Phenoxymethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine is C17H17N3OS.
The molecular weight of 2-(Phenoxymethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine is 311.10922 g/mol.
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