4-{3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}-2-methyl-5-propylpyrimidine

• ChemBase ID: 666852
• Molecular Formular: C20H29N5
• Molecular Mass: 339.47776
• Monoisotopic Mass: 339.24229595
• SMILES: c1(N2CC(c3n(CC4CC4)ccn3)CCC2)nc(ncc1CCC)C
• Canonical SMILES: CCCc1cnc(nc1N1CCCC(C1)c1nccn1CC1CC1)C
• InChI: InChI=1S/C20H29N5/c1-3-5-17-12-22-15(2)23-20(17)24-10-4-6-18(14-24)19-21-9-11-25(19)13-16-7-8-16/h9,11-12,16,18H,3-8,10,13-14H2,1-2H3
• InChIKey: WBOPXLLLTXFBEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}-2-methyl-5-propylpyrimidine
• IUPAC Traditional name: 4-{3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl}-2-methyl-5-propylpyrimidine
• Synonyms: 4-{3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-2-methyl-5-propylpyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4850185
• LogD (pH = 7.4): 3.99545
• Log P: 4.1288958
• Molar Refractivity: 102.2084 cm^3
• Polarizability: 38.251175 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.89
• LOG S: -4.14
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6