TL;DR: Pyrrolo(3,4-c)pyrrole-1,3(2H,5H)-dione, 5-butyl-4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- (CAS 151722-78-0) is a chemical compound with molecular formula C24H34N6O2 and molecular weight 438.27432 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-butyl-1,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyrrole-4,6-dione
Also Known As: Pyrrolo(3,4-c)pyrrole-1,3(2H,5H)-dione, 5-butyl-4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, 2-[4-[4-(Pyrimidin-2-yl)-piperazin-1-yl]butyl]-4,6-dimethyl-5-butylpyrrolo[3,4-c]pyrrole-1,3(2H,5H)-dione, 2-butyl-1,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyrrole-4,6-dione, 5-butyl-4,6-dimethyl-2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-1H,2H,3H,5H-pyrrolo[3,4-c]pyrrole-1,3-dione, 5-Butyl-4,6-dimethyl-2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}pyrrolo[3,4-c]pyrrole-1,3(2H,5H)-dione
| Molecular Formula | C24H34N6O2 |
| Molecular Weight | 438.27432 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 438.27432 Da |
| Heavy Atoms | 32 |
| Complexity | 618.0 |
| SMILES | CCCCN1C(=C2C(=C1C)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NC=CC=N4)C |
| InChIKey | JHUMIOLKQACMOG-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(3,4-c)pyrrole-1,3(2H,5H)-dione, 5-butyl-4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolo(3,4-c)pyrrole-1,3(2H,5H)-dione, 5-butyl-4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-. Following Lipinski's Rule of Five, Pyrrolo(3,4-c)pyrrole-1,3(2H,5H)-dione, 5-butyl-4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrrolo(3,4-c)pyrrole-1,3(2H,5H)-dione, 5-butyl-4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- is 151722-78-0.
The molecular formula of Pyrrolo(3,4-c)pyrrole-1,3(2H,5H)-dione, 5-butyl-4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- is C24H34N6O2.
The molecular weight of Pyrrolo(3,4-c)pyrrole-1,3(2H,5H)-dione, 5-butyl-4,6-dimethyl-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)- is 438.27432 g/mol.
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