1-(cyclohexyloxy)-3-({5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}amino)propan-2-ol

• ChemBase ID: 463669
• Molecular Formular: C18H26N4O2
• Molecular Mass: 330.42464
• Monoisotopic Mass: 330.20557609
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC(COC1CCCCC1)O
• Canonical SMILES: OC(CNc1ncnc2c1c(C)cc(n2)C)COC1CCCCC1
• InChI: InChI=1S/C18H26N4O2/c1-12-8-13(2)22-18-16(12)17(20-11-21-18)19-9-14(23)10-24-15-6-4-3-5-7-15/h8,11,14-15,23H,3-7,9-10H2,1-2H3,(H,19,20,21,22)
• InChIKey: UKEZMWWBGIEBKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexyloxy)-3-({5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}amino)propan-2-ol
• IUPAC Traditional name: 1-(cyclohexyloxy)-3-({5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}amino)propan-2-ol
• Synonyms: 1-(cyclohexyloxy)-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.089704
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 2.3557036
• LogD (pH = 7.4): 2.3662457
• Log P: 2.366382
• Molar Refractivity: 96.3766 cm^3
• Polarizability: 36.306396 Å^3
• Polar Surface Area: 80.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.44
• LOG S: -3.69
• Polar Surface Area: 80.16 Å^2
• Rotatable Bonds: 6