TL;DR: 5H-Pyrrolo(3,4-d)pyrimidin-5-one, 6,7-dihydro-6-methyl-2-(1-pyrrolidinyl)- (CAS 122113-51-3) is a chemical compound with molecular formula C11H14N4O and molecular weight 218.11676 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one
Also Known As: 6-methyl-2-(1-pyrrolidinyl)-6,7-Dihydro-5H-pyrrolo(3,4-d)pyrimidin-5-one, 6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one, 5H-Pyrrolo(3,4-d)pyrimidin-5-one, 6,7-dihydro-6-methyl-2-(1-pyrrolidinyl)-, 6-Methyl-2-(1-pyrrolidinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one, 5H-Pyrrolo(3,4-d)pyrimidin-5-one, 6,7-dihydro-6-methyl-2-(1-pyrrolidin yl)-
| Molecular Formula | C11H14N4O |
| Molecular Weight | 218.11676 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.11676 Da |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
| SMILES | CN1CC2=NC(=NC=C2C1=O)N3CCCC3 |
| InChIKey | FFNNWPRCYPVLOF-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-Pyrrolo(3,4-d)pyrimidin-5-one, 6,7-dihydro-6-methyl-2-(1-pyrrolidinyl)-. With a topological polar surface area (TPSA) of 49.3 Ų, 5H-Pyrrolo(3,4-d)pyrimidin-5-one, 6,7-dihydro-6-methyl-2-(1-pyrrolidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Pyrrolo(3,4-d)pyrimidin-5-one, 6,7-dihydro-6-methyl-2-(1-pyrrolidinyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5H-Pyrrolo(3,4-d)pyrimidin-5-one, 6,7-dihydro-6-methyl-2-(1-pyrrolidinyl)- is 122113-51-3.
The molecular formula of 5H-Pyrrolo(3,4-d)pyrimidin-5-one, 6,7-dihydro-6-methyl-2-(1-pyrrolidinyl)- is C11H14N4O.
The molecular weight of 5H-Pyrrolo(3,4-d)pyrimidin-5-one, 6,7-dihydro-6-methyl-2-(1-pyrrolidinyl)- is 218.11676 g/mol.
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