N-[5-(dimethylamino)pentyl]-6-(propan-2-yl)pyrimidin-4-amine

• ChemBase ID: 551443
• Molecular Formular: C14H26N4
• Molecular Mass: 250.38304
• Monoisotopic Mass: 250.21574685
• SMILES: c1c(ncnc1NCCCCCN(C)C)C(C)C
• Canonical SMILES: CN(CCCCCNc1ncnc(c1)C(C)C)C
• InChI: InChI=1S/C14H26N4/c1-12(2)13-10-14(17-11-16-13)15-8-6-5-7-9-18(3)4/h10-12H,5-9H2,1-4H3,(H,15,16,17)
• InChIKey: HHJUHQHWGRNRQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-(dimethylamino)pentyl]-6-(propan-2-yl)pyrimidin-4-amine
• IUPAC Traditional name: N-[5-(dimethylamino)pentyl]-6-isopropylpyrimidin-4-amine
• Synonyms: N'-(6-isopropylpyrimidin-4-yl)-N,N-dimethylpentane-1,5-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3338629
• LogD (pH = 7.4): 0.16341269
• Log P: 2.532399
• Molar Refractivity: 79.1526 cm^3
• Polarizability: 29.544615 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.78
• LOG S: -2.39
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 8