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

• ChemBase ID: 114451
• Molecular Formular: C9H14N4
• Molecular Mass: 178.23426
• Monoisotopic Mass: 178.12184647
• SMILES: c1(N2CCNCC2)cc(ncn1)C
• Canonical SMILES: Cc1ncnc(c1)N1CCNCC1
• InChI: InChI=1S/C9H14N4/c1-8-6-9(12-7-11-8)13-4-2-10-3-5-13/h6-7,10H,2-5H2,1H3
• InChIKey: QTCMVXOPACNERD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09262634
• PubChem SID: 162099639
• PubChem CID: 16643364

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.139836
• LogD (pH = 7.4): -1.0440476
• Log P: 0.34767866
• Molar Refractivity: 52.8113 cm^3
• Polarizability: 19.599718 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.597

Product Information

• Purity: 95+%