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

• ChemBase ID: 728214
• Molecular Formular: C17H22N4O
• Molecular Mass: 298.38278
• Monoisotopic Mass: 298.17936134
• SMILES: c1(nc(nc2c1CCNC2)c1ccccc1)NC(COC)C
• Canonical SMILES: COCC(Nc1nc(nc2c1CCNC2)c1ccccc1)C
• InChI: InChI=1S/C17H22N4O/c1-12(11-22-2)19-17-14-8-9-18-10-15(14)20-16(21-17)13-6-4-3-5-7-13/h3-7,12,18H,8-11H2,1-2H3,(H,19,20,21)
• InChIKey: QWSBOYLVBPPNDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methoxypropan-2-yl)-2-phenyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N-(1-methoxypropan-2-yl)-2-phenyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
• Synonyms: N-(2-methoxy-1-methylethyl)-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.570143
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.031964958
• LogD (pH = 7.4): 1.787432
• Log P: 2.5875018
• Molar Refractivity: 100.1384 cm^3
• Polarizability: 34.256145 Å^3
• Polar Surface Area: 59.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.82
• LOG S: -1.07
• Polar Surface Area: 59.07 Å^2
• Rotatable Bonds: 5