2-(2-methoxyethyl)pyrimidine-5-carbaldehyde

• ChemBase ID: 307358
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: c1(ncc(cn1)C=O)CCOC
• Canonical SMILES: COCCc1ncc(cn1)C=O
• InChI: InChI=1S/C8H10N2O2/c1-12-3-2-8-9-4-7(6-11)5-10-8/h4-6H,2-3H2,1H3
• InChIKey: DEKPYWCBWQRQIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)pyrimidine-5-carbaldehyde
• IUPAC Traditional name: 2-(2-methoxyethyl)pyrimidine-5-carbaldehyde
• Synonyms: 2-(2-methoxyethyl)pyrimidine-5-carbaldehyde

Database IDs

• CAS Number: 876717-41-8
• MDL Number: MFCD07186438

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.22368863
• LogD (pH = 7.4): 0.2236984
• Log P: 0.22369854
• Molar Refractivity: 45.0835 cm^3
• Polarizability: 16.609219 Å^3
• Polar Surface Area: 52.08 Å^2