N-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-1-(oxolan-2-ylmethyl)piperidin-4-amine

• ChemBase ID: 543362
• Molecular Formular: C19H27N5O
• Molecular Mass: 341.45058
• Monoisotopic Mass: 341.22156051
• SMILES: c1(c2c(nc(cc2C)C)ncn1)NC1CCN(CC2OCCC2)CC1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NC1CCN(CC1)CC1CCCO1
• InChI: InChI=1S/C19H27N5O/c1-13-10-14(2)22-18-17(13)19(21-12-20-18)23-15-5-7-24(8-6-15)11-16-4-3-9-25-16/h10,12,15-16H,3-9,11H2,1-2H3,(H,20,21,22,23)
• InChIKey: ZRIUIBVKJLCZCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-1-(oxolan-2-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: N-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-1-(oxolan-2-ylmethyl)piperidin-4-amine
• Synonyms: 5,7-dimethyl-N-[1-(tetrahydrofuran-2-ylmethyl)piperidin-4-yl]pyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.128826
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -1.3464861
• LogD (pH = 7.4): 0.36372915
• Log P: 1.6898171
• Molar Refractivity: 102.0622 cm^3
• Polarizability: 38.325825 Å^3
• Polar Surface Area: 63.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.46
• LOG S: -1.93
• Polar Surface Area: 63.17 Å^2
• Rotatable Bonds: 4