2-(2-methoxyethyl)-4-{2-phenyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl}morpholine

• ChemBase ID: 456964
• Molecular Formular: C20H26N4O2
• Molecular Mass: 354.44604
• Monoisotopic Mass: 354.20557609
• SMILES: c1(nc(nc2c1CCNC2)c1ccccc1)N1CC(OCC1)CCOC
• Canonical SMILES: COCCC1OCCN(C1)c1nc(nc2c1CCNC2)c1ccccc1
• InChI: InChI=1S/C20H26N4O2/c1-25-11-8-16-14-24(10-12-26-16)20-17-7-9-21-13-18(17)22-19(23-20)15-5-3-2-4-6-15/h2-6,16,21H,7-14H2,1H3
• InChIKey: CTFFQFNJLODXHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-4-{2-phenyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl}morpholine
• IUPAC Traditional name: 2-(2-methoxyethyl)-4-{2-phenyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl}morpholine
• Synonyms: 4-[2-(2-methoxyethyl)morpholin-4-yl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.113579966
• LogD (pH = 7.4): 1.8689126
• Log P: 2.663973
• Molar Refractivity: 113.5645 cm^3
• Polarizability: 39.735416 Å^3
• Polar Surface Area: 59.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.7
• LOG S: -1.37
• Polar Surface Area: 59.51 Å^2
• Rotatable Bonds: 5