6-ethyl-N2,N2-dimethyl-N4-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine

• ChemBase ID: 357120
• Molecular Formular: C14H24N4O
• Molecular Mass: 264.36656
• Monoisotopic Mass: 264.19501141
• SMILES: c1(nc(cc(n1)CC)NCCC1COCC1)N(C)C
• Canonical SMILES: CCc1cc(NCCC2COCC2)nc(n1)N(C)C
• InChI: InChI=1S/C14H24N4O/c1-4-12-9-13(17-14(16-12)18(2)3)15-7-5-11-6-8-19-10-11/h9,11H,4-8,10H2,1-3H3,(H,15,16,17)
• InChIKey: NBOCWNSBGLECSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-N2,N2-dimethyl-N4-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine
• IUPAC Traditional name: 6-ethyl-N2,N2-dimethyl-N4-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine
• Synonyms: 6-ethyl-N~2~,N~2~-dimethyl-N~4~-[2-(tetrahydrofuran-3-yl)ethyl]pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.4171978
• LogD (pH = 7.4): 1.711126
• Log P: 2.1574938
• Molar Refractivity: 80.1161 cm^3
• Polarizability: 29.115574 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.78
• LOG S: -3.51
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 6