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

• ChemBase ID: 271373
• Molecular Formular: C10H16N4O
• Molecular Mass: 208.26024
• Monoisotopic Mass: 208.13241115
• SMILES: n1c(N2CCNCC2)nccc1OCC
• Canonical SMILES: CCOc1ccnc(n1)N1CCNCC1
• InChI: InChI=1S/C10H16N4O/c1-2-15-9-3-4-12-10(13-9)14-7-5-11-6-8-14/h3-4,11H,2,5-8H2,1H3
• InChIKey: KOSSOXUTKRWSAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14707783
• PubChem SID: 164327283
• PubChem CID: 17855548

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.815268
• LogD (pH = 7.4): -0.20247367
• Log P: 1.0942312
• Molar Refractivity: 59.3776 cm^3
• Polarizability: 22.211319 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.346

Product Information

• Purity: 95%