N,2-dimethyl-N-[(3-methylpyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

• ChemBase ID: 501746
• Molecular Formular: C15H16N4S
• Molecular Mass: 284.37934
• Monoisotopic Mass: 284.10956753
• SMILES: c1(c2c(nc(n1)C)scc2)N(Cc1ncccc1C)C
• Canonical SMILES: Cc1nc(N(Cc2ncccc2C)C)c2c(n1)scc2
• InChI: InChI=1S/C15H16N4S/c1-10-5-4-7-16-13(10)9-19(3)14-12-6-8-20-15(12)18-11(2)17-14/h4-8H,9H2,1-3H3
• InChIKey: IMCYHKBGNZATFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-N-[(3-methylpyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N,2-dimethyl-N-[(3-methylpyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
• Synonyms: N,2-dimethyl-N-[(3-methylpyridin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5864403
• LogD (pH = 7.4): 3.7454417
• Log P: 3.7476943
• Molar Refractivity: 82.3562 cm^3
• Polarizability: 31.093359 Å^3
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.02
• LOG S: -2.56
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 3