4-ethoxy-6-methyl-2-(piperazin-1-yl)pyrimidine

• ChemBase ID: 271374
• Molecular Formular: C11H18N4O
• Molecular Mass: 222.28682
• Monoisotopic Mass: 222.14806122
• SMILES: c1(nc(cc(n1)C)OCC)N1CCNCC1
• Canonical SMILES: CCOc1cc(C)nc(n1)N1CCNCC1
• InChI: InChI=1S/C11H18N4O/c1-3-16-10-8-9(2)13-11(14-10)15-6-4-12-5-7-15/h8,12H,3-7H2,1-2H3
• InChIKey: FRTZIXXEGGMDDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-6-methyl-2-(piperazin-1-yl)pyrimidine
• IUPAC Traditional name: 4-ethoxy-6-methyl-2-(piperazin-1-yl)pyrimidine
• Synonyms: 4-ethoxy-6-methyl-2-(piperazin-1-yl)pyrimidine

Database IDs

• MDL Number: MFCD15201891
• PubChem SID: 164327284
• PubChem CID: 54592615

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.6905068
• LogD (pH = 7.4): -0.076219134
• Log P: 1.2256013
• Molar Refractivity: 63.9691 cm^3
• Polarizability: 23.972427 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.845

Product Information

• Purity: 95%