N-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-1-propylpyrrolidin-3-amine

• ChemBase ID: 532069
• Molecular Formular: C16H23N5
• Molecular Mass: 285.38732
• Monoisotopic Mass: 285.19534576
• SMILES: c1(c2c(nc(cc2C)C)ncn1)NC1CN(CC1)CCC
• Canonical SMILES: CCCN1CCC(C1)Nc1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C16H23N5/c1-4-6-21-7-5-13(9-21)20-16-14-11(2)8-12(3)19-15(14)17-10-18-16/h8,10,13H,4-7,9H2,1-3H3,(H,17,18,19,20)
• InChIKey: KPWVDMKYJADXBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.388199
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.1510245
• LogD (pH = 7.4): 0.40193656
• Log P: 2.0905986
• Molar Refractivity: 88.2147 cm^3
• Polarizability: 32.844402 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: 2.07
• LOG S: -2.04
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 4