4-ethoxy-6-methylpyrimidin-2-amine

• ChemBase ID: 308298
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: n1c(nc(cc1OCC)C)N
• Canonical SMILES: CCOc1cc(C)nc(n1)N
• InChI: InChI=1S/C7H11N3O/c1-3-11-6-4-5(2)9-7(8)10-6/h4H,3H2,1-2H3,(H2,8,9,10)
• InChIKey: AWPLOWQQKSPVMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-6-methylpyrimidin-2-amine
• IUPAC Traditional name: 4-ethoxy-6-methylpyrimidin-2-amine
• Synonyms: 4-ethoxy-6-methyl-2-pyrimidinamine

Database IDs

• CAS Number: 7749-48-6
• MDL Number: MFCD02685668

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.4171999
• LogD (pH = 7.4): 0.8159893
• Log P: 0.8245599
• Molar Refractivity: 43.4855 cm^3
• Polarizability: 15.820525 Å^3
• Polar Surface Area: 61.03 Å^2