N-({1-[ethyl(methyl)amino]cyclopentyl}methyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 865757
• Molecular Formular: C18H27N5
• Molecular Mass: 313.44048
• Monoisotopic Mass: 313.22664589
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC1(N(CC)C)CCCC1
• Canonical SMILES: CCN(C1(CCCC1)CNc1ncnc2c1c(C)cc(n2)C)C
• InChI: InChI=1S/C18H27N5/c1-5-23(4)18(8-6-7-9-18)11-19-16-15-13(2)10-14(3)22-17(15)21-12-20-16/h10,12H,5-9,11H2,1-4H3,(H,19,20,21,22)
• InChIKey: TUYIZEPCXIMGKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[ethyl(methyl)amino]cyclopentyl}methyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-({1-[ethyl(methyl)amino]cyclopentyl}methyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-({1-[ethyl(methyl)amino]cyclopentyl}methyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.90259
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.5538758
• LogD (pH = 7.4): 0.425951
• Log P: 2.898345
• Molar Refractivity: 97.4269 cm^3
• Polarizability: 36.533466 Å^3
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.73
• LOG S: -2.81
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 5