N-[2-(1H-indol-1-yl)ethyl]-N,2-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 645632
• Molecular Formular: C19H19N5
• Molecular Mass: 317.38766
• Monoisotopic Mass: 317.16404563
• SMILES: c1(c2c(nc(n1)C)nccc2)N(CCn1ccc2c1cccc2)C
• Canonical SMILES: Cc1nc2ncccc2c(n1)N(CCn1ccc2c1cccc2)C
• InChI: InChI=1S/C19H19N5/c1-14-21-18-16(7-5-10-20-18)19(22-14)23(2)12-13-24-11-9-15-6-3-4-8-17(15)24/h3-11H,12-13H2,1-2H3
• InChIKey: HXXTYGDXICWSMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-1-yl)ethyl]-N,2-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[2-(indol-1-yl)ethyl]-N,2-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-[2-(1H-indol-1-yl)ethyl]-N,2-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.0746922
• LogD (pH = 7.4): 4.0747433
• Log P: 4.0747437
• Molar Refractivity: 97.6551 cm^3
• Polarizability: 37.683323 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.22
• LOG S: -6.11
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4