5,7-dimethyl-N-[2-(morpholin-4-yl)-2-(pyridin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 783273
• Molecular Formular: C20H24N6O
• Molecular Mass: 364.44416
• Monoisotopic Mass: 364.20115942
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC(N1CCOCC1)c1ccncc1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCC(c1ccncc1)N1CCOCC1
• InChI: InChI=1S/C20H24N6O/c1-14-11-15(2)25-20-18(14)19(23-13-24-20)22-12-17(16-3-5-21-6-4-16)26-7-9-27-10-8-26/h3-6,11,13,17H,7-10,12H2,1-2H3,(H,22,23,24,25)
• InChIKey: WJSITACYLSGHKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-N-[2-(morpholin-4-yl)-2-(pyridin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: 5,7-dimethyl-N-[2-(morpholin-4-yl)-2-(pyridin-4-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
• Synonyms: 5,7-dimethyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)pyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.82053
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 0.7498613
• LogD (pH = 7.4): 1.578271
• Log P: 1.6111337
• Molar Refractivity: 107.5759 cm^3
• Polarizability: 40.379913 Å^3
• Polar Surface Area: 76.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.54
• LOG S: -0.01
• Polar Surface Area: 76.06 Å^2
• Rotatable Bonds: 5