N-[2-(naphthalen-2-yl)ethyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

• ChemBase ID: 625430
• Molecular Formular: C19H20N4
• Molecular Mass: 304.3889
• Monoisotopic Mass: 304.16879666
• SMILES: c12c(ncnc1CNCC2)NCCc1cc2c(cc1)cccc2
• Canonical SMILES: C(Nc1ncnc2c1CCNC2)Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C19H20N4/c1-2-4-16-11-14(5-6-15(16)3-1)7-10-21-19-17-8-9-20-12-18(17)22-13-23-19/h1-6,11,13,20H,7-10,12H2,(H,21,22,23)
• InChIKey: NZBLKOWBYHXBBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(naphthalen-2-yl)ethyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[2-(naphthalen-2-yl)ethyl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N-[2-(2-naphthyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.5111771
• LogD (pH = 7.4): 2.227637
• Log P: 2.7992914
• Molar Refractivity: 95.0828 cm^3
• Polarizability: 36.68553 Å^3
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.05
• LOG S: -3.02
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 4