2,6-diethoxypyrimidin-4-amine

• ChemBase ID: 308060
• Molecular Formular: C8H13N3O2
• Molecular Mass: 183.20772
• Monoisotopic Mass: 183.10077667
• SMILES: n1c(nc(cc1N)OCC)OCC
• Canonical SMILES: CCOc1cc(N)nc(n1)OCC
• InChI: InChI=1S/C8H13N3O2/c1-3-12-7-5-6(9)10-8(11-7)13-4-2/h5H,3-4H2,1-2H3,(H2,9,10,11)
• InChIKey: AMNVBQPYABXDIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-diethoxypyrimidin-4-amine
• IUPAC Traditional name: 2,6-diethoxypyrimidin-4-amine
• Synonyms: 2,6-diethoxy-4-pyrimidinamine

Database IDs

• CAS Number: 77297-30-4
• MDL Number: MFCD09864527

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4704634
• LogD (pH = 7.4): 1.4865745
• Log P: 1.486784
• Molar Refractivity: 50.4193 cm^3
• Polarizability: 18.444094 Å^3
• Polar Surface Area: 70.26 Å^2