5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,N,4-trimethylpyrimidin-2-amine

• ChemBase ID: 645911
• Molecular Formular: C12H17N5O2
• Molecular Mass: 263.29568
• Monoisotopic Mass: 263.13822481
• SMILES: c1(nc(no1)CCOC)c1c(nc(nc1)N(C)C)C
• Canonical SMILES: COCCc1noc(n1)c1cnc(nc1C)N(C)C
• InChI: InChI=1S/C12H17N5O2/c1-8-9(7-13-12(14-8)17(2)3)11-15-10(16-19-11)5-6-18-4/h7H,5-6H2,1-4H3
• InChIKey: TWBCPJRDLDWMDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,N,4-trimethylpyrimidin-2-amine
• IUPAC Traditional name: 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,N,4-trimethylpyrimidin-2-amine
• Synonyms: 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,N,4-trimethyl-2-pyrimidinamine

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.373815
• LogD (pH = 7.4): 1.3747412
• Log P: 1.3747531
• Molar Refractivity: 83.1833 cm^3
• Polarizability: 26.698565 Å^3
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 5

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.82
• LOG S: -2.67
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 5