1-({2,4-dimethyl-5H,6H-furo[2,3-d]pyrimidin-6-yl}methyl)-4-(1-ethyl-1H-imidazol-2-yl)piperidine

• ChemBase ID: 583448
• Molecular Formular: C19H27N5O
• Molecular Mass: 341.45058
• Monoisotopic Mass: 341.22156051
• SMILES: c12c(c(nc(n1)C)C)CC(O2)CN1CCC(c2n(ccn2)CC)CC1
• Canonical SMILES: CCn1ccnc1C1CCN(CC1)CC1Oc2c(C1)c(C)nc(n2)C
• InChI: InChI=1S/C19H27N5O/c1-4-24-10-7-20-18(24)15-5-8-23(9-6-15)12-16-11-17-13(2)21-14(3)22-19(17)25-16/h7,10,15-16H,4-6,8-9,11-12H2,1-3H3
• InChIKey: YTRLHVIYUYKNPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({2,4-dimethyl-5H,6H-furo[2,3-d]pyrimidin-6-yl}methyl)-4-(1-ethyl-1H-imidazol-2-yl)piperidine
• IUPAC Traditional name: 1-({2,4-dimethyl-5H,6H-furo[2,3-d]pyrimidin-6-yl}methyl)-4-(1-ethylimidazol-2-yl)piperidine
• Synonyms: 6-{[4-(1-ethyl-1H-imidazol-2-yl)-1-piperidinyl]methyl}-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.2882439
• LogD (pH = 7.4): 1.1284543
• Log P: 2.1347
• Molar Refractivity: 98.5508 cm^3
• Polarizability: 37.40418 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.84
• LOG S: -2.25
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 4