TL;DR: Ethyl 5-methyl-4-(1-pyrrolidinyl)thieno[2,3-d]pyrimidine-6-carboxylate (CAS 422560-76-7) is a chemical compound with molecular formula C14H17N3O2S and molecular weight 291.10416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate
Also Known As: AR-434/41881197, ethyl 5-methyl-4-(1-pyrrolidinyl)thieno[2,3-d]pyrimidine-6-carboxylate, ethyl 5-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylate, ethyl 5-methyl-4-(pyrrolidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate, Ethyl 9-methyl-2-pyrrolidin-1-yl-7-thia-3,5-diazabicyclo[4.3.0]nona-1,3,5,8-tetraene-8-carboxylate
| Molecular Formula | C14H17N3O2S |
| Molecular Weight | 291.10416 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 83.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.10416 Da |
| Heavy Atoms | 20 |
| Complexity | 362.0 |
| SMILES | CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCCC3)C |
| InChIKey | MELCKKMEOPLVPZ-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that Ethyl 5-methyl-4-(1-pyrrolidinyl)thieno[2,3-d]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-methyl-4-(1-pyrrolidinyl)thieno[2,3-d]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-methyl-4-(1-pyrrolidinyl)thieno[2,3-d]pyrimidine-6-carboxylate has 0 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 Ethyl 5-methyl-4-(1-pyrrolidinyl)thieno[2,3-d]pyrimidine-6-carboxylate is 422560-76-7.
The molecular formula of Ethyl 5-methyl-4-(1-pyrrolidinyl)thieno[2,3-d]pyrimidine-6-carboxylate is C14H17N3O2S.
The molecular weight of Ethyl 5-methyl-4-(1-pyrrolidinyl)thieno[2,3-d]pyrimidine-6-carboxylate is 291.10416 g/mol.
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