N-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine

• ChemBase ID: 499574
• Molecular Formular: C20H27N5
• Molecular Mass: 337.46188
• Monoisotopic Mass: 337.22664589
• SMILES: c1(nc(c2c(n1)CCC2)NC)N1CCN(CC1)CCc1ccccc1
• Canonical SMILES: CNc1nc(nc2c1CCC2)N1CCN(CC1)CCc1ccccc1
• InChI: InChI=1S/C20H27N5/c1-21-19-17-8-5-9-18(17)22-20(23-19)25-14-12-24(13-15-25)11-10-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3,(H,21,22,23)
• InChIKey: DDENKGYOWOACOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine
• IUPAC Traditional name: N-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]-5H,6H,7H-cyclopenta[d]pyrimidin-4-amine
• Synonyms: N-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6330143
• LogD (pH = 7.4): 3.0264394
• Log P: 3.6456563
• Molar Refractivity: 105.4793 cm^3
• Polarizability: 38.665466 Å^3
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.91
• LOG S: -4.85
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 5