5-ethyl-4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-amine

• ChemBase ID: 311403
• Molecular Formular: C11H18N4
• Molecular Mass: 206.28742
• Monoisotopic Mass: 206.1531466
• SMILES: c1(nc(nc(c1CC)C)N)N1CCCC1
• Canonical SMILES: CCc1c(C)nc(nc1N1CCCC1)N
• InChI: InChI=1S/C11H18N4/c1-3-9-8(2)13-11(12)14-10(9)15-6-4-5-7-15/h3-7H2,1-2H3,(H2,12,13,14)
• InChIKey: FPFBRHAVBCYLRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-amine
• IUPAC Traditional name: 5-ethyl-4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-amine
• Synonyms: 5-ethyl-4-methyl-6-(1-pyrrolidinyl)-2-pyrimidinamine

Database IDs

• CAS Number: 424803-29-2
• MDL Number: MFCD02215117

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.32812354
• LogD (pH = 7.4): 1.5961769
• Log P: 2.0972545
• Molar Refractivity: 63.8855 cm^3
• Polarizability: 22.818712 Å^3
• Polar Surface Area: 55.04 Å^2