2-(4-{2-phenyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl}morpholin-2-yl)ethan-1-amine

• ChemBase ID: 381409
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: c1(nc(nc2c1CCNC2)c1ccccc1)N1CC(OCC1)CCN
• Canonical SMILES: NCCC1OCCN(C1)c1nc(nc2c1CCNC2)c1ccccc1
• InChI: InChI=1S/C19H25N5O/c20-8-6-15-13-24(10-11-25-15)19-16-7-9-21-12-17(16)22-18(23-19)14-4-2-1-3-5-14/h1-5,15,21H,6-13,20H2
• InChIKey: INVBUMHIAGEZBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-{2-phenyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl}morpholin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-{2-phenyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl}morpholin-2-yl)ethanamine
• Synonyms: 2-[4-(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)morpholin-2-yl]ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -3.7627103
• LogD (pH = 7.4): -1.4163513
• Log P: 1.9840497
• Molar Refractivity: 110.4708 cm^3
• Polarizability: 38.73525 Å^3
• Polar Surface Area: 76.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.12
• LOG S: -0.77
• Polar Surface Area: 76.3 Å^2
• Rotatable Bonds: 4