TL;DR: Pyrimido(2,1-f)purine-2,4(1H,3H)-dione, 6,7,8,9-tetrahydro-1,3-dimethyl-9-(3-(4-phenyl-1-piperazinyl)propyl)-, dihydrochloride (CAS 148711-96-0) is a chemical compound with molecular formula C23H33Cl2N7O2 and molecular weight 509.20728 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-9-[3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione;dihydrochloride
Also Known As: Pyrimido(2,1-f)purine-2,4(1H,3H)-dione, 6,7,8,9-tetrahydro-1,3-dimethyl-9-(3-(4-phenyl-1-piperazinyl)propyl)-, dihydrochloride, 1,3-Dimethyl-9-[3-(4-phenylpiperazin-1-yl)propyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione--hydrogen chloride (1/2), 1,3-dimethyl-9-[3-(4-phenylpiperazin-1-yl)propyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione dihydrochloride
| Molecular Formula | C23H33Cl2N7O2 |
| Molecular Weight | 509.20728 g/mol |
| XLogP | 1.6997 |
| Topological Polar Surface Area (TPSA) | 68.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.20728 Da |
| Heavy Atoms | 34 |
| Complexity | 692.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3CCCN(C3=N2)CCCN4CCN(CC4)C5=CC=CC=C5.Cl.Cl |
| InChIKey | VMYVQGUOXZEVJD-UHFFFAOYSA-N |
The XLogP value of 1.6997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimido(2,1-f)purine-2,4(1H,3H)-dione, 6,7,8,9-tetrahydro-1,3-dimethyl-9-(3-(4-phenyl-1-piperazinyl)propyl)-, dihydrochloride. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimido(2,1-f)purine-2,4(1H,3H)-dione, 6,7,8,9-tetrahydro-1,3-dimethyl-9-(3-(4-phenyl-1-piperazinyl)propyl)-, dihydrochloride. Following Lipinski's Rule of Five, Pyrimido(2,1-f)purine-2,4(1H,3H)-dione, 6,7,8,9-tetrahydro-1,3-dimethyl-9-(3-(4-phenyl-1-piperazinyl)propyl)-, dihydrochloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pyrimido(2,1-f)purine-2,4(1H,3H)-dione, 6,7,8,9-tetrahydro-1,3-dimethyl-9-(3-(4-phenyl-1-piperazinyl)propyl)-, dihydrochloride is 148711-96-0.
The molecular formula of Pyrimido(2,1-f)purine-2,4(1H,3H)-dione, 6,7,8,9-tetrahydro-1,3-dimethyl-9-(3-(4-phenyl-1-piperazinyl)propyl)-, dihydrochloride is C23H33Cl2N7O2.
The molecular weight of Pyrimido(2,1-f)purine-2,4(1H,3H)-dione, 6,7,8,9-tetrahydro-1,3-dimethyl-9-(3-(4-phenyl-1-piperazinyl)propyl)-, dihydrochloride is 509.20728 g/mol.
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