TL;DR: 6-Methyl-4-(pyrrolidin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine (CAS 1413487-52-1) is a chemical compound with molecular formula C15H19N3S and molecular weight 273.12997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: BAS 03789919, 6-methyl-4-(pyrrolidin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, 6-methyl-4-(pyrrolidin-1-yl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine, 6-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine, 6-Methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C15H19N3S |
| Molecular Weight | 273.12997 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 57.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.12997 Da |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
| SMILES | CC1CCC2=C(C1)C3=C(N=CN=C3S2)N4CCCC4 |
| InChIKey | PNGKVYRSEAVJAO-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 6-Methyl-4-(pyrrolidin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.3 Ų, 6-Methyl-4-(pyrrolidin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-4-(pyrrolidin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine has 0 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-Methyl-4-(pyrrolidin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is 1413487-52-1.
The molecular formula of 6-Methyl-4-(pyrrolidin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is C15H19N3S.
The molecular weight of 6-Methyl-4-(pyrrolidin-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine is 273.12997 g/mol.
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