5-{1-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-1H-imidazol-2-yl}-N,N-dimethylpyrimidin-2-amine

• ChemBase ID: 580004
• Molecular Formular: C17H22N6O
• Molecular Mass: 326.39618
• Monoisotopic Mass: 326.18550935
• SMILES: c1(n(ccn1)CCCc1c(onc1C)C)c1cnc(nc1)N(C)C
• Canonical SMILES: CN(c1ncc(cn1)c1nccn1CCCc1c(C)noc1C)C
• InChI: InChI=1S/C17H22N6O/c1-12-15(13(2)24-21-12)6-5-8-23-9-7-18-16(23)14-10-19-17(20-11-14)22(3)4/h7,9-11H,5-6,8H2,1-4H3
• InChIKey: UKSUZJCQTMOPOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{1-[3-(dimethyl-1,2-oxazol-4-yl)propyl]-1H-imidazol-2-yl}-N,N-dimethylpyrimidin-2-amine
• IUPAC Traditional name: 5-{1-[3-(dimethyl-1,2-oxazol-4-yl)propyl]imidazol-2-yl}-N,N-dimethylpyrimidin-2-amine
• Synonyms: 5-{1-[3-(3,5-dimethylisoxazol-4-yl)propyl]-1H-imidazol-2-yl}-N,N-dimethylpyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.692684
• LogD (pH = 7.4): 2.1090696
• Log P: 2.1197214
• Molar Refractivity: 105.2018 cm^3
• Polarizability: 34.918877 Å^3
• Polar Surface Area: 72.87 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: 2.3
• LOG S: -3.54
• Polar Surface Area: 72.87 Å^2
• Rotatable Bonds: 6