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

• ChemBase ID: 605258
• Molecular Formular: C22H24N4
• Molecular Mass: 344.45276
• Monoisotopic Mass: 344.20009679
• SMILES: c12c(ncnc1CNCC2)NCC(c1ccccc1)(c1ccccc1)C
• Canonical SMILES: CC(c1ccccc1)(c1ccccc1)CNc1ncnc2c1CCNC2
• InChI: InChI=1S/C22H24N4/c1-22(17-8-4-2-5-9-17,18-10-6-3-7-11-18)15-24-21-19-12-13-23-14-20(19)25-16-26-21/h2-11,16,23H,12-15H2,1H3,(H,24,25,26)
• InChIKey: MAHXFHSZTVRLGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.49246
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.3987026
• LogD (pH = 7.4): 3.1151228
• Log P: 3.6865923
• Molar Refractivity: 118.0917 cm^3
• Polarizability: 40.588463 Å^3
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.69
• LOG S: -3.85
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 5