N-(3,3-diphenylpropyl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

• ChemBase ID: 327627
• Molecular Formular: C22H24N4
• Molecular Mass: 344.45276
• Monoisotopic Mass: 344.20009679
• SMILES: c12c(ncnc1CNCC2)NCCC(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C(c1ccccc1)CCNc1ncnc2c1CCNC2
• InChI: InChI=1S/C22H24N4/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)12-14-24-22-20-11-13-23-15-21(20)25-16-26-22/h1-10,16,19,23H,11-15H2,(H,24,25,26)
• InChIKey: BJMBFFRVZNBSRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 2
• Log P: 3.74
• LOG S: -3.9
• Polar Surface Area: 49.84 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.3870168
• LogD (pH = 7.4): 3.10349
• Log P: 3.6752064
• Molar Refractivity: 107.8772 cm^3
• Polarizability: 40.59152 Å^3
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 6