N-[(1-ethylpyrrolidin-2-yl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 677784
• Molecular Formular: C16H23N5
• Molecular Mass: 285.38732
• Monoisotopic Mass: 285.19534576
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC1N(CCC1)CC
• Canonical SMILES: CCN1CCCC1CNc1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C16H23N5/c1-4-21-7-5-6-13(21)9-17-15-14-11(2)8-12(3)20-16(14)19-10-18-15/h8,10,13H,4-7,9H2,1-3H3,(H,17,18,19,20)
• InChIKey: UDLMYKZJUFTNMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.089691
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.1691638
• LogD (pH = 7.4): 0.36851624
• Log P: 2.085439
• Molar Refractivity: 88.3353 cm^3
• Polarizability: 32.844444 Å^3
• Polar Surface Area: 53.94 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: 1.88
• LOG S: -1.88
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 4