5,6-dimethyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

• ChemBase ID: 252151
• Molecular Formular: C14H20N4S
• Molecular Mass: 276.4004
• Monoisotopic Mass: 276.14086766
• SMILES: c12c(sc(c2C)C)nc(nc1N)CN1CCCCC1
• Canonical SMILES: Nc1nc(CN2CCCCC2)nc2c1c(C)c(s2)C
• InChI: InChI=1S/C14H20N4S/c1-9-10(2)19-14-12(9)13(15)16-11(17-14)8-18-6-4-3-5-7-18/h3-8H2,1-2H3,(H2,15,16,17)
• InChIKey: QQDNEYKUNIECEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: 5,6-dimethyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
• Synonyms: 5,6-dimethyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

Database IDs

• MDL Number: MFCD08444220
• PubChem SID: 164308061
• PubChem CID: 9167264

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3941994
• LogD (pH = 7.4): 3.4161353
• Log P: 3.4724727
• Molar Refractivity: 81.3218 cm^3
• Polarizability: 30.551588 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.46

Product Information

• Purity: 95%