2-(4-methylpiperazin-1-yl)pyrimidine

• ChemBase ID: 288014
• Molecular Formular: C9H14N4
• Molecular Mass: 178.23426
• Monoisotopic Mass: 178.12184647
• SMILES: CN1CCN(c2ncccn2)CC1
• Canonical SMILES: CN1CCN(CC1)c1ncccn1
• InChI: InChI=1S/C9H14N4/c1-12-5-7-13(8-6-12)9-10-3-2-4-11-9/h2-4H,5-8H2,1H3
• InChIKey: MYWNBGPUPDPECZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylpiperazin-1-yl)pyrimidine
• IUPAC Traditional name: 2-(4-methylpiperazin-1-yl)pyrimidine
• Synonyms: 2-(4-Methylpiperazin-1-yl)pyrimidine

Database IDs

• CAS Number: 145208-86-2
• MDL Number: MFCD17169882
• PubChem SID: 180673545
• PubChem CID: 10329895

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.083371
• LogD (pH = 7.4): 0.4439653
• Log P: 0.68368495
• Molar Refractivity: 53.147 cm^3
• Polarizability: 19.681698 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1

PROPERTIES

Product Information

• Purity: 95+%