TL;DR: Benzothieno(2,3-d)pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-3-amino-2,7-dimethyl- (CAS 120354-21-4) is a chemical compound with molecular formula C12H15N3OS and molecular weight 249.09358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 3-amino-2,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 0936AD, BAS 00727695, 3-Amino-2,7-dimethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 1-(2,5-Dimethyl-[3]thienyl)-aethylamin
| Molecular Formula | C12H15N3OS |
| Molecular Weight | 249.09358 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 86.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 249.09358 Da |
| Heavy Atoms | 17 |
| Complexity | 384.0 |
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)C)N |
| InChIKey | CRMSMSNBTURPKP-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothieno(2,3-d)pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-3-amino-2,7-dimethyl-. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothieno(2,3-d)pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-3-amino-2,7-dimethyl-. Following Lipinski's Rule of Five, Benzothieno(2,3-d)pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-3-amino-2,7-dimethyl- has 1 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 Benzothieno(2,3-d)pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-3-amino-2,7-dimethyl- is 120354-21-4.
The molecular formula of Benzothieno(2,3-d)pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-3-amino-2,7-dimethyl- is C12H15N3OS.
The molecular weight of Benzothieno(2,3-d)pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-3-amino-2,7-dimethyl- is 249.09358 g/mol.
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