TL;DR: 4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-dimethylethyl)-6-methyl-4-oxo- (CAS 125055-54-1) is a chemical compound with molecular formula C14H17N3O2 and molecular weight 259.13208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-tert-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
Also Known As: 4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-dimethylethyl)-6-methyl-4-oxo-, N-tert-Butyl-6-methyl-4-oxo-4H-pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-Dimethylethyl)-6-methyl-4-oxo-4H-pyrido(1,2-a)pyrimidine-3-carboxamide, N-tert-butyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide, N-tert-Butyl-6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
| Molecular Formula | C14H17N3O2 |
| Molecular Weight | 259.13208 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.13208 Da |
| Heavy Atoms | 19 |
| Complexity | 560.0 |
| SMILES | CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NC(C)(C)C |
| InChIKey | TWOQZTKIJXLQEP-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-dimethylethyl)-6-methyl-4-oxo-. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-dimethylethyl)-6-methyl-4-oxo-. Following Lipinski's Rule of Five, 4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-dimethylethyl)-6-methyl-4-oxo- has 1 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 4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-dimethylethyl)-6-methyl-4-oxo- is 125055-54-1.
The molecular formula of 4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-dimethylethyl)-6-methyl-4-oxo- is C14H17N3O2.
The molecular weight of 4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-dimethylethyl)-6-methyl-4-oxo- is 259.13208 g/mol.
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