TL;DR: 2,2-dimethyl-5-(2-methylpropyl)-N-pentyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine (CAS 371954-15-3) is a chemical compound with molecular formula C23H32N4OS and molecular weight 412.22968 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4-dimethyl-8-(2-methylpropyl)-N-pentyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
Also Known As: 2,2-dimethyl-5-(2-methylpropyl)-N-pentyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine, 5-isobutyl-2,2-dimethyl-N-pentyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine, N-(5-ISOBUTYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)-N-PENTYLAMINE
| Molecular Formula | C23H32N4OS |
| Molecular Weight | 412.22968 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 88.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.22968 Da |
| Heavy Atoms | 29 |
| Complexity | 545.0 |
| SMILES | CCCCCNC1=NC=NC2=C1SC3=C2C4=C(COC(C4)(C)C)C(=N3)CC(C)C |
| InChIKey | JIMXMNFOCZAVMZ-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that 2,2-dimethyl-5-(2-methylpropyl)-N-pentyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-dimethyl-5-(2-methylpropyl)-N-pentyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine. Following Lipinski's Rule of Five, 2,2-dimethyl-5-(2-methylpropyl)-N-pentyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,2-dimethyl-5-(2-methylpropyl)-N-pentyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine is 371954-15-3.
The molecular formula of 2,2-dimethyl-5-(2-methylpropyl)-N-pentyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine is C23H32N4OS.
The molecular weight of 2,2-dimethyl-5-(2-methylpropyl)-N-pentyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine is 412.22968 g/mol.
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