5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine

• ChemBase ID: 311409
• Molecular Formular: C11H18N4O
• Molecular Mass: 222.28682
• Monoisotopic Mass: 222.14806122
• SMILES: c1(nc(nc(c1CC)C)N)N1CCOCC1
• Canonical SMILES: CCc1c(C)nc(nc1N1CCOCC1)N
• InChI: InChI=1S/C11H18N4O/c1-3-9-8(2)13-11(12)14-10(9)15-4-6-16-7-5-15/h3-7H2,1-2H3,(H2,12,13,14)
• InChIKey: VYZIWKYGVDQKSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine
• IUPAC Traditional name: 5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine
• Synonyms: 5-ethyl-4-methyl-6-(4-morpholinyl)-2-pyrimidinamine

Database IDs

• CAS Number: 424813-05-8
• MDL Number: MFCD02634653

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.28245953
• LogD (pH = 7.4): 0.9991114
• Log P: 1.4729567
• Molar Refractivity: 65.419 cm^3
• Polarizability: 23.526657 Å^3
• Polar Surface Area: 64.27 Å^2