N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 727745
• Molecular Formular: C19H27N5
• Molecular Mass: 325.45118
• Monoisotopic Mass: 325.22664589
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC1CN(CC1)C1CCCC1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCC1CCN(C1)C1CCCC1
• InChI: InChI=1S/C19H27N5/c1-13-9-14(2)23-19-17(13)18(21-12-22-19)20-10-15-7-8-24(11-15)16-5-3-4-6-16/h9,12,15-16H,3-8,10-11H2,1-2H3,(H,20,21,22,23)
• InChIKey: LUJPYNSSPWDAQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.880144
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.7973907
• LogD (pH = 7.4): -0.028892104
• Log P: 2.6835186
• Molar Refractivity: 100.3389 cm^3
• Polarizability: 37.643745 Å^3
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.84
• LOG S: -2.99
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 4