4-amino-5-[4-(dimethylamino)phenyl]-2-(morpholin-4-yl)-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-one

• ChemBase ID: 745788
• Molecular Formular: C19H24N6O2
• Molecular Mass: 368.43286
• Monoisotopic Mass: 368.19607404
• SMILES: c12nc(nc(c1C(CC(=O)N2)c1ccc(N(C)C)cc1)N)N1CCOCC1
• Canonical SMILES: O=C1Nc2nc(nc(c2C(C1)c1ccc(cc1)N(C)C)N)N1CCOCC1
• InChI: InChI=1S/C19H24N6O2/c1-24(2)13-5-3-12(4-6-13)14-11-15(26)21-18-16(14)17(20)22-19(23-18)25-7-9-27-10-8-25/h3-6,14H,7-11H2,1-2H3,(H3,20,21,22,23,26)
• InChIKey: DYMKWBBHHKQLEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-5-[4-(dimethylamino)phenyl]-2-(morpholin-4-yl)-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-one
• IUPAC Traditional name: 4-amino-5-[4-(dimethylamino)phenyl]-2-(morpholin-4-yl)-5H,6H,8H-pyrido[2,3-d]pyrimidin-7-one
• Synonyms: 4-amino-5-[4-(dimethylamino)phenyl]-2-morpholin-4-yl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.733332
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): 1.2881715
• LogD (pH = 7.4): 2.0285947
• Log P: 2.050294
• Molar Refractivity: 108.6989 cm^3
• Polarizability: 38.5735 Å^3
• Polar Surface Area: 96.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.23
• LOG S: -3.79
• Polar Surface Area: 96.61 Å^2
• Rotatable Bonds: 3