N-[(1-ethylpiperidin-3-yl)methyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine

• ChemBase ID: 842150
• Molecular Formular: C16H24N4S
• Molecular Mass: 304.45356
• Monoisotopic Mass: 304.17216779
• SMILES: c1(c2c(nc(n1)C)scc2)N(CC1CN(CCC1)CC)C
• Canonical SMILES: CCN1CCCC(C1)CN(c1nc(C)nc2c1ccs2)C
• InChI: InChI=1S/C16H24N4S/c1-4-20-8-5-6-13(11-20)10-19(3)15-14-7-9-21-16(14)18-12(2)17-15/h7,9,13H,4-6,8,10-11H2,1-3H3
• InChIKey: SDPPZRFAPIKPRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethylpiperidin-3-yl)methyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[(1-ethylpiperidin-3-yl)methyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine
• Synonyms: N-[(1-ethylpiperidin-3-yl)methyl]-N,2-dimethylthieno[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.07629261
• LogD (pH = 7.4): 1.5201758
• Log P: 3.4542522
• Molar Refractivity: 90.3004 cm^3
• Polarizability: 34.32587 Å^3
• Polar Surface Area: 32.26 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: 4.01
• LOG S: -3.83
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4