5,7-dimethyl-N-{2-[2-(propan-2-yl)-1,3-thiazol-4-yl]ethyl}pyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 398547
• Molecular Formular: C17H21N5S
• Molecular Mass: 327.44714
• Monoisotopic Mass: 327.1517667
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCCc1nc(sc1)C(C)C
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCCc1csc(n1)C(C)C
• InChI: InChI=1S/C17H21N5S/c1-10(2)17-22-13(8-23-17)5-6-18-15-14-11(3)7-12(4)21-16(14)20-9-19-15/h7-10H,5-6H2,1-4H3,(H,18,19,20,21)
• InChIKey: PMUCZSJYSXCASX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-N-{2-[2-(propan-2-yl)-1,3-thiazol-4-yl]ethyl}pyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[2-(2-isopropyl-1,3-thiazol-4-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-[2-(2-isopropyl-1,3-thiazol-4-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.780903
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.3000576
• LogD (pH = 7.4): 3.3125975
• Log P: 3.3127592
• Molar Refractivity: 95.9967 cm^3
• Polarizability: 35.558342 Å^3
• Polar Surface Area: 63.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.94
• LOG S: -4.1
• Polar Surface Area: 63.59 Å^2
• Rotatable Bonds: 5