9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

• ChemBase ID: 121574
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: c1(nc2n(c(=O)c1C=O)cccc2C)N1CCC(CC1)C
• Canonical SMILES: O=Cc1c(nc2n(c1=O)cccc2C)N1CCC(CC1)C
• InChI: InChI=1S/C16H19N3O2/c1-11-5-8-18(9-6-11)15-13(10-20)16(21)19-7-3-4-12(2)14(19)17-15/h3-4,7,10-11H,5-6,8-9H2,1-2H3
• InChIKey: TWNYXSVEXVQJOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
• IUPAC Traditional name: 9-methyl-2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
• Synonyms: 9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

Database IDs

• PubChem SID: 162215927
• PubChem CID: 763938

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.814022
• LogD (pH = 7.4): 1.8140574
• Log P: 1.8140578
• Molar Refractivity: 92.131 cm^3
• Polarizability: 30.43895 Å^3
• Polar Surface Area: 52.98 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true