2-ethyl-5-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]pyrimidine

• ChemBase ID: 690550
• Molecular Formular: C16H24N4O2
• Molecular Mass: 304.38736
• Monoisotopic Mass: 304.18992603
• SMILES: C(=O)(N1CCN(CC2OCCC2)CC1)c1cnc(nc1)CC
• Canonical SMILES: CCc1ncc(cn1)C(=O)N1CCN(CC1)CC1CCCO1
• InChI: InChI=1S/C16H24N4O2/c1-2-15-17-10-13(11-18-15)16(21)20-7-5-19(6-8-20)12-14-4-3-9-22-14/h10-11,14H,2-9,12H2,1H3
• InChIKey: REFZZLIMHUULRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-5-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]pyrimidine
• IUPAC Traditional name: 2-ethyl-5-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]pyrimidine
• Synonyms: 2-ethyl-5-{[4-(tetrahydro-2-furanylmethyl)-1-piperazinyl]carbonyl}pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.62364954
• LogD (pH = 7.4): 0.51845014
• Log P: 0.59659886
• Molar Refractivity: 85.1502 cm^3
• Polarizability: 32.333694 Å^3
• Polar Surface Area: 58.56 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: -0.84
• LOG S: -2.01
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4