1-{2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-4-propylpiperazine

• ChemBase ID: 648274
• Molecular Formular: C20H26N4
• Molecular Mass: 322.44724
• Monoisotopic Mass: 322.21574685
• SMILES: c1(nc(nc2c1CCC2)c1ccccc1)N1CCN(CC1)CCC
• Canonical SMILES: CCCN1CCN(CC1)c1nc(nc2c1CCC2)c1ccccc1
• InChI: InChI=1S/C20H26N4/c1-2-11-23-12-14-24(15-13-23)20-17-9-6-10-18(17)21-19(22-20)16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3
• InChIKey: GNTPJQVOOKUDIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-4-propylpiperazine
• IUPAC Traditional name: 1-{2-phenyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}-4-propylpiperazine
• Synonyms: 2-phenyl-4-(4-propyl-1-piperazinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9845817
• LogD (pH = 7.4): 4.0171857
• Log P: 4.776247
• Molar Refractivity: 110.6556 cm^3
• Polarizability: 38.310944 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.98
• LOG S: -4.16
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2