5-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-N,N,4-trimethylpyrimidin-2-amine

• ChemBase ID: 684978
• Molecular Formular: C19H28N6O2
• Molecular Mass: 372.46462
• Monoisotopic Mass: 372.22737417
• SMILES: C(=O)(c1c(nc(nc1)N(C)C)C)N1CC(c2n(ccn2)CCOC)CCC1
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)c1cnc(nc1C)N(C)C
• InChI: InChI=1S/C19H28N6O2/c1-14-16(12-21-19(22-14)23(2)3)18(26)25-8-5-6-15(13-25)17-20-7-9-24(17)10-11-27-4/h7,9,12,15H,5-6,8,10-11,13H2,1-4H3
• InChIKey: RYEYDUGKTVQHLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-N,N,4-trimethylpyrimidin-2-amine
• IUPAC Traditional name: 5-{3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl}-N,N,4-trimethylpyrimidin-2-amine
• Synonyms: 5-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}carbonyl)-N,N,4-trimethylpyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.21326043
• LogD (pH = 7.4): 0.84499985
• Log P: 0.87283283
• Molar Refractivity: 105.5381 cm^3
• Polarizability: 39.015797 Å^3
• Polar Surface Area: 76.38 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: 0.49
• LOG S: -2.33
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 6