TL;DR: 3-({5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl}amino)propanoic acid hydrochloride (CAS 1052404-66-6) is a chemical compound with molecular formula C11H14ClN3O2S and molecular weight 287.04953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid;hydrochloride
Also Known As: 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}amino)propanoic acid hydrochloride, N-(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)-b-alanine hydrochloride, 3-((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)amino)propanoic acid hydrochloride, 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid hydrochloride, 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid;hydrochloride
| Molecular Formula | C11H14ClN3O2S |
| Molecular Weight | 287.04953 g/mol |
| XLogP | 2.61654 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.04953 Da |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
| SMILES | CC1=C(SC2=NC=NC(=C12)NCCC(=O)O)C.Cl |
| InChIKey | RFEVEKVFAOSPGD-UHFFFAOYSA-N |
The XLogP value of 2.61654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl}amino)propanoic acid hydrochloride. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl}amino)propanoic acid hydrochloride. Following Lipinski's Rule of Five, 3-({5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl}amino)propanoic acid hydrochloride has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-({5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl}amino)propanoic acid hydrochloride is 1052404-66-6.
The molecular formula of 3-({5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl}amino)propanoic acid hydrochloride is C11H14ClN3O2S.
The molecular weight of 3-({5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl}amino)propanoic acid hydrochloride is 287.04953 g/mol.
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