2-(2-methoxyethyl)pyrimidine-5-carbonitrile

• ChemBase ID: 308438
• Molecular Formular: C8H9N3O
• Molecular Mass: 163.17656
• Monoisotopic Mass: 163.07456192
• SMILES: N#Cc1cnc(nc1)CCOC
• Canonical SMILES: COCCc1ncc(cn1)C#N
• InChI: InChI=1S/C8H9N3O/c1-12-3-2-8-10-5-7(4-9)6-11-8/h5-6H,2-3H2,1H3
• InChIKey: LXJHFBZUYAJBEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1123169-32-3
• MDL Number: MFCD12198440

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3695464
• LogD (pH = 7.4): 0.36954644
• Log P: 0.36954644
• Molar Refractivity: 44.2211 cm^3
• Polarizability: 16.53267 Å^3
• Polar Surface Area: 58.8 Å^2