N-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 635945
• Molecular Formular: C14H18FN5
• Molecular Mass: 275.3246232
• Monoisotopic Mass: 275.15462382
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NC[C@H]1NC[C@H](C1)F
• Canonical SMILES: F[C@@H]1CN[C@@H](C1)CNc1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C14H18FN5/c1-8-3-9(2)20-14-12(8)13(18-7-19-14)17-6-11-4-10(15)5-16-11/h3,7,10-11,16H,4-6H2,1-2H3,(H,17,18,19,20)/t10-,11-/m0/s1
• InChIKey: HXGXTCLQOSCUBC-QWRGUYRKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-{[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.09703
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.8843079
• LogD (pH = 7.4): -0.32964554
• Log P: 1.0889772
• Molar Refractivity: 77.9178 cm^3
• Polarizability: 28.846571 Å^3
• Polar Surface Area: 62.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.75
• LOG S: -0.84
• Polar Surface Area: 62.73 Å^2
• Rotatable Bonds: 3