4,5-dimethyl-6-(piperazin-1-yl)pyrimidine

• ChemBase ID: 309245
• Molecular Formular: C10H16N4
• Molecular Mass: 192.26084
• Monoisotopic Mass: 192.13749653
• SMILES: c1(c(c(ncn1)C)C)N1CCNCC1
• Canonical SMILES: Cc1c(ncnc1C)N1CCNCC1
• InChI: InChI=1S/C10H16N4/c1-8-9(2)12-7-13-10(8)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3
• InChIKey: BTJOEBVTPYHQHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dimethyl-6-(piperazin-1-yl)pyrimidine
• IUPAC Traditional name: 4,5-dimethyl-6-(piperazin-1-yl)pyrimidine
• Synonyms: 4,5-dimethyl-6-(1-piperazinyl)pyrimidine

Database IDs

• CAS Number: 1227465-82-8
• MDL Number: MFCD16556119

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.532748
• LogD (pH = 7.4): -0.53991866
• Log P: 0.8611
• Molar Refractivity: 57.8525 cm^3
• Polarizability: 21.364614 Å^3
• Polar Surface Area: 41.05 Å^2