[(2-cyclohexylpyrimidin-5-yl)methyl](methyl)[(3-methyl-1,2-oxazol-5-yl)methyl]amine

• ChemBase ID: 323203
• Molecular Formular: C17H24N4O
• Molecular Mass: 300.39866
• Monoisotopic Mass: 300.19501141
• SMILES: c1(onc(c1)C)CN(Cc1cnc(nc1)C1CCCCC1)C
• Canonical SMILES: CN(Cc1onc(c1)C)Cc1cnc(nc1)C1CCCCC1
• InChI: InChI=1S/C17H24N4O/c1-13-8-16(22-20-13)12-21(2)11-14-9-18-17(19-10-14)15-6-4-3-5-7-15/h8-10,15H,3-7,11-12H2,1-2H3
• InChIKey: KKOBCPGPAIDANI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-cyclohexylpyrimidin-5-yl)methyl](methyl)[(3-methyl-1,2-oxazol-5-yl)methyl]amine
• IUPAC Traditional name: [(2-cyclohexylpyrimidin-5-yl)methyl](methyl)[(3-methyl-1,2-oxazol-5-yl)methyl]amine
• Synonyms: 1-(2-cyclohexylpyrimidin-5-yl)-N-methyl-N-[(3-methylisoxazol-5-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5629804
• LogD (pH = 7.4): 2.659082
• Log P: 2.7280219
• Molar Refractivity: 87.6152 cm^3
• Polarizability: 33.16404 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.96
• LOG S: -2.06
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 5