N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxypyridin-3-amine

• ChemBase ID: 240178
• Molecular Formular: C13H16N4O3
• Molecular Mass: 276.29114
• Monoisotopic Mass: 276.12224039
• SMILES: c1(c(ncnc1OC)OC)CNc1c(nccc1)OC
• Canonical SMILES: COc1ncccc1NCc1c(OC)ncnc1OC
• InChI: InChI=1S/C13H16N4O3/c1-18-11-9(12(19-2)17-8-16-11)7-15-10-5-4-6-14-13(10)20-3/h4-6,8,15H,7H2,1-3H3
• InChIKey: FTSLGFRFNQFBBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxypyridin-3-amine
• IUPAC Traditional name: N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxypyridin-3-amine
• Synonyms: N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxypyridin-3-amine

Database IDs

• MDL Number: MFCD12705701
• PubChem SID: 164296088
• PubChem CID: 43721856

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 1.3379313
• LogD (pH = 7.4): 1.3396511
• Log P: 1.339673
• Molar Refractivity: 75.7019 cm^3
• Polarizability: 27.822287 Å^3
• Polar Surface Area: 78.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.442

Product Information

• Purity: 95%