N-{3-[cyclopentyl(methyl)amino]propyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 471357
• Molecular Formular: C18H27N5
• Molecular Mass: 313.44048
• Monoisotopic Mass: 313.22664589
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCCCN(C1CCCC1)C
• Canonical SMILES: CN(C1CCCC1)CCCNc1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C18H27N5/c1-13-11-14(2)22-18-16(13)17(20-12-21-18)19-9-6-10-23(3)15-7-4-5-8-15/h11-12,15H,4-10H2,1-3H3,(H,19,20,21,22)
• InChIKey: VLSDXHQIHFITKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[cyclopentyl(methyl)amino]propyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-{3-[cyclopentyl(methyl)amino]propyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-cyclopentyl-N'-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.084112
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.81269586
• LogD (pH = 7.4): -0.113484666
• Log P: 2.677728
• Molar Refractivity: 97.6541 cm^3
• Polarizability: 36.53348 Å^3
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.75
• LOG S: -2.83
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 6