N-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 483573
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: c12c(nc(cc2C)C)ncnc1N(CC1OCCOC1)C
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2N(CC1COCCO1)C
• InChI: InChI=1S/C15H20N4O2/c1-10-6-11(2)18-14-13(10)15(17-9-16-14)19(3)7-12-8-20-4-5-21-12/h6,9,12H,4-5,7-8H2,1-3H3
• InChIKey: IISNBLFLGKJNRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-(1,4-dioxan-2-ylmethyl)-N,5,7-trimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.6654947
• LogD (pH = 7.4): 1.6738708
• Log P: 1.6739787
• Molar Refractivity: 82.3794 cm^3
• Polarizability: 30.859732 Å^3
• Polar Surface Area: 60.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.78
• LOG S: -1.97
• Polar Surface Area: 60.37 Å^2
• Rotatable Bonds: 3