2,5,6-trimethyl-N-[4-(oxolan-2-yl)butyl]pyrimidin-4-amine

• ChemBase ID: 426916
• Molecular Formular: C15H25N3O
• Molecular Mass: 263.3785
• Monoisotopic Mass: 263.19976244
• SMILES: n1c(c(c(nc1C)C)C)NCCCCC1OCCC1
• Canonical SMILES: Cc1nc(NCCCCC2CCCO2)c(c(n1)C)C
• InChI: InChI=1S/C15H25N3O/c1-11-12(2)17-13(3)18-15(11)16-9-5-4-7-14-8-6-10-19-14/h14H,4-10H2,1-3H3,(H,16,17,18)
• InChIKey: WPZARXKSAPOWFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5,6-trimethyl-N-[4-(oxolan-2-yl)butyl]pyrimidin-4-amine
• IUPAC Traditional name: 2,5,6-trimethyl-N-[4-(oxolan-2-yl)butyl]pyrimidin-4-amine
• Synonyms: 2,5,6-trimethyl-N-[4-(tetrahydrofuran-2-yl)butyl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3559886
• LogD (pH = 7.4): 2.6057007
• Log P: 2.7238016
• Molar Refractivity: 79.8524 cm^3
• Polarizability: 29.661747 Å^3
• Polar Surface Area: 47.04 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: 2.87
• LOG S: -3.86
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 6