N-[2-(dimethylamino)pentyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 836782
• Molecular Formular: C16H25N5
• Molecular Mass: 287.4032
• Monoisotopic Mass: 287.21099583
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC(N(C)C)CCC
• Canonical SMILES: CCCC(N(C)C)CNc1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C16H25N5/c1-6-7-13(21(4)5)9-17-15-14-11(2)8-12(3)20-16(14)19-10-18-15/h8,10,13H,6-7,9H2,1-5H3,(H,17,18,19,20)
• InChIKey: MYPCAUIBWBAREG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)pentyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[2-(dimethylamino)pentyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N~1~-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-N~2~,N~2~-dimethylpentane-1,2-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.091208
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.6529602
• LogD (pH = 7.4): 0.82249266
• Log P: 2.6467326
• Molar Refractivity: 89.9193 cm^3
• Polarizability: 33.578686 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: 2.34
• LOG S: -2.29
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 6