N-[3-(2-ethoxyphenyl)propyl]-2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

• ChemBase ID: 610528
• Molecular Formular: C19H26N4O
• Molecular Mass: 326.43594
• Monoisotopic Mass: 326.21066147
• SMILES: c1(nc(nc2c1CCNC2)C)NCCCc1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1CCCNc1nc(C)nc2c1CCNC2
• InChI: InChI=1S/C19H26N4O/c1-3-24-18-9-5-4-7-15(18)8-6-11-21-19-16-10-12-20-13-17(16)22-14(2)23-19/h4-5,7,9,20H,3,6,8,10-13H2,1-2H3,(H,21,22,23)
• InChIKey: RENNFPVTAWOCOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-ethoxyphenyl)propyl]-2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[3-(2-ethoxyphenyl)propyl]-2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N-[3-(2-ethoxyphenyl)propyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.6853224
• LogD (pH = 7.4): 2.422995
• Log P: 3.026813
• Molar Refractivity: 99.0698 cm^3
• Polarizability: 37.085194 Å^3
• Polar Surface Area: 59.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.02
• LOG S: -3.15
• Polar Surface Area: 59.07 Å^2
• Rotatable Bonds: 7