TL;DR: 4-(furan-2-yl)-N-(3-methoxypropyl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine (CAS 849004-74-6) is a chemical compound with molecular formula C21H22N4O2S2 and molecular weight 426.1184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(furan-2-yl)-N-(3-methoxypropyl)-14-methylsulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-amine
Also Known As: 4-(furan-2-yl)-N-(3-methoxypropyl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine, 4-(furan-2-yl)-N-(3-methoxypropyl)-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
| Molecular Formula | C21H22N4O2S2 |
| Molecular Weight | 426.1184 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.1184 Da |
| Heavy Atoms | 29 |
| Complexity | 559.0 |
| SMILES | COCCCNC1=NC(=NC2=C1SC3=C2C4=C(CCC4)C(=N3)C5=CC=CO5)SC |
| InChIKey | ZKYVSOLDGOVRNL-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 4-(furan-2-yl)-N-(3-methoxypropyl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(furan-2-yl)-N-(3-methoxypropyl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine. Following Lipinski's Rule of Five, 4-(furan-2-yl)-N-(3-methoxypropyl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(furan-2-yl)-N-(3-methoxypropyl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine is 849004-74-6.
The molecular formula of 4-(furan-2-yl)-N-(3-methoxypropyl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine is C21H22N4O2S2.
The molecular weight of 4-(furan-2-yl)-N-(3-methoxypropyl)-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine is 426.1184 g/mol.
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