N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 626634
• Molecular Formular: C19H29N5
• Molecular Mass: 327.46706
• Monoisotopic Mass: 327.24229595
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC1(N(CC)C)CCCCC1
• Canonical SMILES: CCN(C1(CCCCC1)CNc1ncnc2c1c(C)cc(n2)C)C
• InChI: InChI=1S/C19H29N5/c1-5-24(4)19(9-7-6-8-10-19)12-20-17-16-14(2)11-15(3)23-18(16)22-13-21-17/h11,13H,5-10,12H2,1-4H3,(H,20,21,22,23)
• InChIKey: JVSNREMVPYOICT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.90259
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.11786124
• LogD (pH = 7.4): 0.79407495
• Log P: 3.3429136
• Molar Refractivity: 102.0279 cm^3
• Polarizability: 38.37832 Å^3
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.29
• LOG S: -3.39
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 5