TL;DR: 5H-Pyrrolo(3,2-d)pyrimidine, 2-chloro-4-(1-piperidinyl)- (CAS 114684-95-6) is a chemical compound with molecular formula C11H13ClN4 and molecular weight 236.08287 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
Also Known As: 5H-Pyrrolo(3,2-d)pyrimidine, 2-chloro-4-(1-piperidinyl)-, 2-Chloro-4-(1-piperidinyl)-5H-pyrrolo(3,2-d)pyrimidine, 2-chloro-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidine, 2-chloro-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine, AH-262/34335034
| Molecular Formula | C11H13ClN4 |
| Molecular Weight | 236.08287 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.08287 Da |
| Heavy Atoms | 16 |
| Complexity | 244.0 |
| SMILES | C1CCN(CC1)C2=NC(=NC3=C2NC=C3)Cl |
| InChIKey | UIEWMRXYDCBIOT-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-Pyrrolo(3,2-d)pyrimidine, 2-chloro-4-(1-piperidinyl)-. With a topological polar surface area (TPSA) of 44.8 Ų, 5H-Pyrrolo(3,2-d)pyrimidine, 2-chloro-4-(1-piperidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Pyrrolo(3,2-d)pyrimidine, 2-chloro-4-(1-piperidinyl)- has 1 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)pyrimidine, 2-chloro-4-(1-piperidinyl)- is 114684-95-6.
The molecular formula of 5H-Pyrrolo(3,2-d)pyrimidine, 2-chloro-4-(1-piperidinyl)- is C11H13ClN4.
The molecular weight of 5H-Pyrrolo(3,2-d)pyrimidine, 2-chloro-4-(1-piperidinyl)- is 236.08287 g/mol.
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