N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 704147
• Molecular Formular: C18H22N6O
• Molecular Mass: 338.40688
• Monoisotopic Mass: 338.18550935
• SMILES: n1c(onc1CCNc1c2c(nc(cc2C)C)ncn1)C1CCCC1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCCc1noc(n1)C1CCCC1
• InChI: InChI=1S/C18H22N6O/c1-11-9-12(2)22-17-15(11)16(20-10-21-17)19-8-7-14-23-18(25-24-14)13-5-3-4-6-13/h9-10,13H,3-8H2,1-2H3,(H,19,20,21,22)
• InChIKey: OLLLOESZFRAKHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.673845
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 3.3447924
• LogD (pH = 7.4): 3.3557022
• Log P: 3.355843
• Molar Refractivity: 98.8371 cm^3
• Polarizability: 35.865685 Å^3
• Polar Surface Area: 89.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.13
• LOG S: -3.49
• Polar Surface Area: 89.62 Å^2
• Rotatable Bonds: 5