4-ethoxy-5-ethyl-6-methylpyrimidin-2-amine

• ChemBase ID: 308082
• Molecular Formular: C9H15N3O
• Molecular Mass: 181.2349
• Monoisotopic Mass: 181.12151212
• SMILES: n1c(c(c(nc1N)C)CC)OCC
• Canonical SMILES: CCOc1nc(N)nc(c1CC)C
• InChI: InChI=1S/C9H15N3O/c1-4-7-6(3)11-9(10)12-8(7)13-5-2/h4-5H2,1-3H3,(H2,10,11,12)
• InChIKey: UKWHWWMGNUOABG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-5-ethyl-6-methylpyrimidin-2-amine
• IUPAC Traditional name: 4-ethoxy-5-ethyl-6-methylpyrimidin-2-amine
• Synonyms: 4-ethoxy-5-ethyl-6-methyl-2-pyrimidinamine

Database IDs

• CAS Number: 1060817-07-3
• MDL Number: MFCD11053910

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5078697
• LogD (pH = 7.4): 1.7777039
• Log P: 1.78255
• Molar Refractivity: 53.1277 cm^3
• Polarizability: 19.416414 Å^3
• Polar Surface Area: 61.03 Å^2