5-(1-aminoethyl)-N-cyclohexyl-N,4-dimethylpyrimidin-2-amine

• ChemBase ID: 664754
• Molecular Formular: C14H24N4
• Molecular Mass: 248.36716
• Monoisotopic Mass: 248.20009679
• SMILES: c1(nc(c(cn1)C(N)C)C)N(C1CCCCC1)C
• Canonical SMILES: CN(c1ncc(c(n1)C)C(N)C)C1CCCCC1
• InChI: InChI=1S/C14H24N4/c1-10(15)13-9-16-14(17-11(13)2)18(3)12-7-5-4-6-8-12/h9-10,12H,4-8,15H2,1-3H3
• InChIKey: LVHGFDCCRRBAGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-aminoethyl)-N-cyclohexyl-N,4-dimethylpyrimidin-2-amine
• IUPAC Traditional name: 5-(1-aminoethyl)-N-cyclohexyl-N,4-dimethylpyrimidin-2-amine
• Synonyms: 5-(1-aminoethyl)-N-cyclohexyl-N,4-dimethylpyrimidin-2-amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.81
• LOG S: -2.4
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 3

JChem

• H Donor: 1
• LogD (pH = 5.5): -0.6458755
• LogD (pH = 7.4): 0.49089897
• Log P: 2.3095496
• Molar Refractivity: 75.5948 cm^3
• Polarizability: 28.81197 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 4