N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 498220
• Molecular Formular: C17H19N5S
• Molecular Mass: 325.43126
• Monoisotopic Mass: 325.13611663
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCCc1nc2c(s1)CCC2
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCCc1sc2c(n1)CCC2
• InChI: InChI=1S/C17H19N5S/c1-10-8-11(2)21-17-15(10)16(19-9-20-17)18-7-6-14-22-12-4-3-5-13(12)23-14/h8-9H,3-7H2,1-2H3,(H,18,19,20,21)
• InChIKey: NEYUUOHPCPWLMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.728806
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.9358454
• LogD (pH = 7.4): 2.9517035
• Log P: 2.9519079
• Molar Refractivity: 94.5993 cm^3
• Polarizability: 34.752598 Å^3
• Polar Surface Area: 63.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.09
• LOG S: -4.21
• Polar Surface Area: 63.59 Å^2
• Rotatable Bonds: 4