6-methoxy-N-methyl-N-{2-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrimidin-4-amine

• ChemBase ID: 828430
• Molecular Formular: C13H19N5O2
• Molecular Mass: 277.32226
• Monoisotopic Mass: 277.15387487
• SMILES: n1c(onc1CCN(c1cc(ncn1)OC)C)C(C)C
• Canonical SMILES: COc1ncnc(c1)N(CCc1noc(n1)C(C)C)C
• InChI: InChI=1S/C13H19N5O2/c1-9(2)13-16-10(17-20-13)5-6-18(3)11-7-12(19-4)15-8-14-11/h7-9H,5-6H2,1-4H3
• InChIKey: APVDIHSIQGKXPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-N-methyl-N-{2-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrimidin-4-amine
• IUPAC Traditional name: N-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-methoxy-N-methylpyrimidin-4-amine
• Synonyms: N-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-methoxy-N-methylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.7450807
• LogD (pH = 7.4): 2.818594
• Log P: 2.819618
• Molar Refractivity: 77.322 cm^3
• Polarizability: 27.849167 Å^3
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.96
• LOG S: -2.89
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 6