TL;DR: 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)- (CAS 114684-94-5) is a chemical compound with molecular formula C14H17ClN4 and molecular weight 276.11417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
Also Known As: 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)-, 2-Chloro-4-(beta-(cyclohexen-1'-yl)ethylamino)pyrrolo(3,2-d)pyrimidine, 2-Chloro-N-(2-(1-cyclohexen-1-yl)ethyl)-5H-pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine, 2-CHLORO-N-[2-(CYCLOHEX-1-EN-1-YL)ETHYL]-5H-PYRROLO[3,2-D]PYRIMIDIN-4-AMINE
| Molecular Formula | C14H17ClN4 |
| Molecular Weight | 276.11417 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.11417 Da |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
| SMILES | C1CCC(=CC1)CCNC2=NC(=NC3=C2NC=C3)Cl |
| InChIKey | HWKUUNFBRUEKJZ-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)- is 114684-94-5.
The molecular formula of 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)- is C14H17ClN4.
The molecular weight of 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, 2-chloro-N-(2-(1-cyclohexen-1-yl)ethyl)- is 276.11417 g/mol.
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