methyl 4-[(4,6-dimethoxypyrimidin-2-yl)methoxy]benzoate

• ChemBase ID: 88470
• Molecular Formular: C15H16N2O5
• Molecular Mass: 304.29794
• Monoisotopic Mass: 304.10592162
• SMILES: n1c(nc(cc1OC)OC)COc1ccc(cc1)C(=O)OC
• Canonical SMILES: COc1nc(COc2ccc(cc2)C(=O)OC)nc(c1)OC
• InChI: InChI=1S/C15H16N2O5/c1-19-13-8-14(20-2)17-12(16-13)9-22-11-6-4-10(5-7-11)15(18)21-3/h4-8H,9H2,1-3H3
• InChIKey: NLYGYDKKOOOVPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-[(4,6-dimethoxypyrimidin-2-yl)methoxy]benzoate
• IUPAC Traditional name: methyl 4-[(4,6-dimethoxypyrimidin-2-yl)methoxy]benzoate
• Synonyms: Methyl [4-(4,6-Dimethoxypyrimidin-2-yl)methoxy]benzoate

Database IDs

• MDL Number: MFCD04038973
• PubChem SID: 162075418
• PubChem CID: 40424830

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.9588904
• LogD (pH = 7.4): 2.958913
• Log P: 2.9589133
• Molar Refractivity: 78.8875 cm^3
• Polarizability: 30.17109 Å^3
• Polar Surface Area: 79.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true