dimethyl[1-(5-methylfuran-2-yl)-2-{2-[2-(propan-2-yl)pyrimidin-4-yl]-1H-imidazol-1-yl}ethyl]amine

• ChemBase ID: 422962
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: n1(c(c2nc(ncc2)C(C)C)ncc1)CC(c1oc(cc1)C)N(C)C
• Canonical SMILES: CN(C(c1ccc(o1)C)Cn1ccnc1c1ccnc(n1)C(C)C)C
• InChI: InChI=1S/C19H25N5O/c1-13(2)18-20-9-8-15(22-18)19-21-10-11-24(19)12-16(23(4)5)17-7-6-14(3)25-17/h6-11,13,16H,12H2,1-5H3
• InChIKey: ZTUDFHYCULWICL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[1-(5-methylfuran-2-yl)-2-{2-[2-(propan-2-yl)pyrimidin-4-yl]-1H-imidazol-1-yl}ethyl]amine
• IUPAC Traditional name: {2-[2-(2-isopropylpyrimidin-4-yl)imidazol-1-yl]-1-(5-methylfuran-2-yl)ethyl}dimethylamine
• Synonyms: 2-[2-(2-isopropylpyrimidin-4-yl)-1H-imidazol-1-yl]-N,N-dimethyl-1-(5-methyl-2-furyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5135856
• LogD (pH = 7.4): 2.306519
• Log P: 3.2580104
• Molar Refractivity: 108.9717 cm^3
• Polarizability: 38.110138 Å^3
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.02
• LOG S: -3.25
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 6