5,7-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 348091
• Molecular Formular: C15H18N6O
• Molecular Mass: 298.34302
• Monoisotopic Mass: 298.15420923
• SMILES: n1c(onc1C)C(Nc1c2c(nc(cc2C)C)ncn1)CC
• Canonical SMILES: CCC(c1onc(n1)C)Nc1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C15H18N6O/c1-5-11(15-19-10(4)21-22-15)20-14-12-8(2)6-9(3)18-13(12)16-7-17-14/h6-7,11H,5H2,1-4H3,(H,16,17,18,20)
• InChIKey: HIDUBYFAXQMTOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: 5,7-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrido[2,3-d]pyrimidin-4-amine
• Synonyms: 5,7-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.595718
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.617694
• LogD (pH = 7.4): 2.6269722
• Log P: 2.627092
• Molar Refractivity: 86.5544 cm^3
• Polarizability: 31.152323 Å^3
• Polar Surface Area: 89.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.21
• LOG S: -2.41
• Polar Surface Area: 89.62 Å^2
• Rotatable Bonds: 4