N-{2-[cyclopentyl(methyl)amino]ethyl}-N,5,6-trimethylpyrimidin-4-amine

• ChemBase ID: 821695
• Molecular Formular: C15H26N4
• Molecular Mass: 262.39374
• Monoisotopic Mass: 262.21574685
• SMILES: c1(c(c(ncn1)C)C)N(CCN(C1CCCC1)C)C
• Canonical SMILES: CN(c1ncnc(c1C)C)CCN(C1CCCC1)C
• InChI: InChI=1S/C15H26N4/c1-12-13(2)16-11-17-15(12)19(4)10-9-18(3)14-7-5-6-8-14/h11,14H,5-10H2,1-4H3
• InChIKey: PIAYKGICWJTJPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[cyclopentyl(methyl)amino]ethyl}-N,5,6-trimethylpyrimidin-4-amine
• IUPAC Traditional name: N-{2-[cyclopentyl(methyl)amino]ethyl}-N,5,6-trimethylpyrimidin-4-amine
• Synonyms: N-cyclopentyl-N'-(5,6-dimethylpyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0968056
• LogD (pH = 7.4): 0.5019085
• Log P: 2.7703748
• Molar Refractivity: 81.5294 cm^3
• Polarizability: 30.57847 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.33
• LOG S: -2.4
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 5