TL;DR: 2H-Pyrido[1,2-a]pyrimidin-2-one, 4-(methylphenylamino)- (CAS 111680-65-0) is a chemical compound with molecular formula C15H13N3O and molecular weight 251.10587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(N-methylanilino)pyrido[1,2-a]pyrimidin-2-one
Also Known As: 2H-Pyrido[1,2-a]pyrimidin-2-one, 4-(methylphenylamino)-, 4-(N-methylanilino)pyrido[1,2-a]pyrimidin-2-one, 4-[methyl(phenyl)amino]-2H-pyrido[1,2-a]pyrimidin-2-one, 4-(Methyl(phenyl)amino)-2H-pyrido[1,2-a]pyrimidin-2-one
| Molecular Formula | C15H13N3O |
| Molecular Weight | 251.10587 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.10587 Da |
| Heavy Atoms | 19 |
| Complexity | 496.0 |
| SMILES | CN(C1=CC=CC=C1)C2=CC(=O)N=C3N2C=CC=C3 |
| InChIKey | SRTFNSFJTBHLAA-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Pyrido[1,2-a]pyrimidin-2-one, 4-(methylphenylamino)-. With a topological polar surface area (TPSA) of 35.9 Ų, 2H-Pyrido[1,2-a]pyrimidin-2-one, 4-(methylphenylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Pyrido[1,2-a]pyrimidin-2-one, 4-(methylphenylamino)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-Pyrido[1,2-a]pyrimidin-2-one, 4-(methylphenylamino)- is 111680-65-0.
The molecular formula of 2H-Pyrido[1,2-a]pyrimidin-2-one, 4-(methylphenylamino)- is C15H13N3O.
The molecular weight of 2H-Pyrido[1,2-a]pyrimidin-2-one, 4-(methylphenylamino)- is 251.10587 g/mol.
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