2-[(furan-2-ylmethyl)amino]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

• ChemBase ID: 311132
• Molecular Formular: C15H13N3O3
• Molecular Mass: 283.28202
• Monoisotopic Mass: 283.09569129
• SMILES: n12c(=O)c(c(nc1ccc(c2)C)NCc1occc1)C=O
• Canonical SMILES: O=Cc1c(NCc2ccco2)nc2n(c1=O)cc(cc2)C
• InChI: InChI=1S/C15H13N3O3/c1-10-4-5-13-17-14(16-7-11-3-2-6-21-11)12(9-19)15(20)18(13)8-10/h2-6,8-9,16H,7H2,1H3
• InChIKey: MMFBWAYVOBIYEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(furan-2-ylmethyl)amino]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
• IUPAC Traditional name: 2-[(furan-2-ylmethyl)amino]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
• Synonyms: 2-[(2-furylmethyl)amino]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

Database IDs

• CAS Number: 314746-80-0
• MDL Number: MFCD01108014

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.92615503
• Log P: 0.9261552
• Molar Refractivity: 87.0741 cm^3
• Polarizability: 28.446547 Å^3
• Polar Surface Area: 74.91 Å^2
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9261423