TL;DR: 6H-Pyrimido(4,5-b)pyrrolizine-9-carboxamide, 7,8-dihydro-N-((dimethylamino)methylene)-4-phenyl- (CAS 139157-00-9) is a chemical compound with molecular formula C19H19N5O and molecular weight 333.15897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(dimethylaminomethylidene)-1-phenyl-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine-5-carboxamide
Also Known As: 6H-Pyrimido(4,5-b)pyrrolizine-9-carboxamide, 7,8-dihydro-N-((dimethylamino)methylene)-4-phenyl-, 5,6-Trimethylene-7-(N,N-dimethylaminomethylene)carbamoyl-4-phenylpyrrolo(3,2-d)pyrimidine, 4-Phenyl-7,8-dihydro-9-(dimethylaminomethylenecarbamoyl)-6H-pyrimido[4,5-b]pyrrolidine, N-(dimethylaminomethylidene)-1-phenyl-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine-5-carboxamide, N-[(DIMETHYLAMINO)METHYLIDENE]-4-PHENYL-6H,7H,8H-PYRIMIDO[4,5-B]PYRROLIZINE-9-CARBOXAMIDE
| Molecular Formula | C19H19N5O |
| Molecular Weight | 333.15897 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 63.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.15897 Da |
| Heavy Atoms | 25 |
| Complexity | 516.0 |
| SMILES | CN(C)C=NC(=O)C1=C2CCCN2C3=C1N=CN=C3C4=CC=CC=C4 |
| InChIKey | LEJAHCBNVIYDIG-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-Pyrimido(4,5-b)pyrrolizine-9-carboxamide, 7,8-dihydro-N-((dimethylamino)methylene)-4-phenyl-. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-Pyrimido(4,5-b)pyrrolizine-9-carboxamide, 7,8-dihydro-N-((dimethylamino)methylene)-4-phenyl-. Following Lipinski's Rule of Five, 6H-Pyrimido(4,5-b)pyrrolizine-9-carboxamide, 7,8-dihydro-N-((dimethylamino)methylene)-4-phenyl- has 0 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 6H-Pyrimido(4,5-b)pyrrolizine-9-carboxamide, 7,8-dihydro-N-((dimethylamino)methylene)-4-phenyl- is 139157-00-9.
The molecular formula of 6H-Pyrimido(4,5-b)pyrrolizine-9-carboxamide, 7,8-dihydro-N-((dimethylamino)methylene)-4-phenyl- is C19H19N5O.
The molecular weight of 6H-Pyrimido(4,5-b)pyrrolizine-9-carboxamide, 7,8-dihydro-N-((dimethylamino)methylene)-4-phenyl- is 333.15897 g/mol.
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