N-(furan-3-ylmethyl)-N,6-dimethyl-2-(morpholin-4-yl)pyrimidin-4-amine

• ChemBase ID: 601821
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: n1c(nc(cc1N(Cc1cocc1)C)C)N1CCOCC1
• Canonical SMILES: Cc1cc(nc(n1)N1CCOCC1)N(Cc1cocc1)C
• InChI: InChI=1S/C15H20N4O2/c1-12-9-14(18(2)10-13-3-6-21-11-13)17-15(16-12)19-4-7-20-8-5-19/h3,6,9,11H,4-5,7-8,10H2,1-2H3
• InChIKey: LALGEVCCADFQHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-3-ylmethyl)-N,6-dimethyl-2-(morpholin-4-yl)pyrimidin-4-amine
• IUPAC Traditional name: N-(furan-3-ylmethyl)-N,6-dimethyl-2-(morpholin-4-yl)pyrimidin-4-amine
• Synonyms: N-(3-furylmethyl)-N,6-dimethyl-2-morpholin-4-ylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.6054649
• LogD (pH = 7.4): 1.9164549
• Log P: 2.3166552
• Molar Refractivity: 82.631 cm^3
• Polarizability: 30.067142 Å^3
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.6
• LOG S: -3.52
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 4