4-ethyl-6-(piperazin-1-yl)pyrimidine

• ChemBase ID: 309139
• Molecular Formular: C10H16N4
• Molecular Mass: 192.26084
• Monoisotopic Mass: 192.13749653
• SMILES: c1(N2CCNCC2)cc(ncn1)CC
• Canonical SMILES: CCc1ncnc(c1)N1CCNCC1
• InChI: InChI=1S/C10H16N4/c1-2-9-7-10(13-8-12-9)14-5-3-11-4-6-14/h7-8,11H,2-6H2,1H3
• InChIKey: IVAHAFXZXGBFQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-6-(piperazin-1-yl)pyrimidine
• IUPAC Traditional name: 4-ethyl-6-(piperazin-1-yl)pyrimidine
• Synonyms: 4-ethyl-6-(1-piperazinyl)pyrimidine

Database IDs

• CAS Number: 153469-07-9
• MDL Number: MFCD14602988

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.3272429
• LogD (pH = 7.4): -0.33843854
• Log P: 1.0482146
• Molar Refractivity: 57.4382 cm^3
• Polarizability: 21.440182 Å^3
• Polar Surface Area: 41.05 Å^2