4-methoxy-N-methylpyrimidin-2-amine

• ChemBase ID: 238946
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: n1c(nccc1OC)NC
• Canonical SMILES: CNc1nccc(n1)OC
• InChI: InChI=1S/C6H9N3O/c1-7-6-8-4-3-5(9-6)10-2/h3-4H,1-2H3,(H,7,8,9)
• InChIKey: OPBJFWASRUHSHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-methylpyrimidin-2-amine
• IUPAC Traditional name: 4-methoxy-N-methylpyrimidin-2-amine
• Synonyms: 4-methoxy-N-methylpyrimidin-2-amine

Database IDs

• MDL Number: MFCD09054909
• PubChem SID: 164294856
• PubChem CID: 23422138

CALCULATED PROPERTIES

• Acid pKa: 16.139992
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5566885
• LogD (pH = 7.4): 0.6369523
• Log P: 0.63808584
• Molar Refractivity: 39.6388 cm^3
• Polarizability: 14.062956 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.455

Product Information

• Purity: 95%