N-(1,2-diphenylethyl)-2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

• ChemBase ID: 695253
• Molecular Formular: C22H24N4
• Molecular Mass: 344.45276
• Monoisotopic Mass: 344.20009679
• SMILES: c1(nc(nc2c1CCNC2)C)NC(Cc1ccccc1)c1ccccc1
• Canonical SMILES: Cc1nc(NC(c2ccccc2)Cc2ccccc2)c2c(n1)CNCC2
• InChI: InChI=1S/C22H24N4/c1-16-24-21-15-23-13-12-19(21)22(25-16)26-20(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-11,20,23H,12-15H2,1H3,(H,24,25,26)
• InChIKey: MKCWXJOJIBNUSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,2-diphenylethyl)-2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-(1,2-diphenylethyl)-2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N-(1,2-diphenylethyl)-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.17989
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.9004222
• LogD (pH = 7.4): 3.6375444
• Log P: 4.239425
• Molar Refractivity: 107.5398 cm^3
• Polarizability: 40.510292 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: 3.56
• LOG S: -3.74
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 5