2-methyl-N-[2-(pyrrolidine-1-sulfonyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 753592
• Molecular Formular: C14H19N5O2S
• Molecular Mass: 321.39796
• Monoisotopic Mass: 321.12594587
• SMILES: S(=O)(=O)(N1CCCC1)CCNc1nc(nc2c1cccn2)C
• Canonical SMILES: Cc1nc(NCCS(=O)(=O)N2CCCC2)c2c(n1)nccc2
• InChI: InChI=1S/C14H19N5O2S/c1-11-17-13-12(5-4-6-15-13)14(18-11)16-7-10-22(20,21)19-8-2-3-9-19/h4-6H,2-3,7-10H2,1H3,(H,15,16,17,18)
• InChIKey: CSKJCTCDWRKBGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-[2-(pyrrolidine-1-sulfonyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: 2-methyl-N-[2-(pyrrolidine-1-sulfonyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
• Synonyms: 2-methyl-N-[2-(pyrrolidin-1-ylsulfonyl)ethyl]pyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.090467
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.7111412
• LogD (pH = 7.4): 0.7112126
• Log P: 0.7112135
• Molar Refractivity: 86.9042 cm^3
• Polarizability: 33.04601 Å^3
• Polar Surface Area: 88.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.27
• LOG S: -2.75
• Polar Surface Area: 88.08 Å^2
• Rotatable Bonds: 4