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

• ChemBase ID: 287474
• Molecular Formular: C9H14N4
• Molecular Mass: 178.23426
• Monoisotopic Mass: 178.12184647
• SMILES: Cc1nc(N2CCNCC2)ncc1
• Canonical SMILES: Cc1ccnc(n1)N1CCNCC1
• InChI: InChI=1S/C9H14N4/c1-8-2-3-11-9(12-8)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3
• InChIKey: QMFLDCBHGGRGNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(piperazin-1-yl)pyrimidine
• IUPAC Traditional name: 4-methyl-2-(piperazin-1-yl)pyrimidine
• Synonyms: 4-Methyl-2-(1-piperazinyl)pyrimidine

Database IDs

• CAS Number: 59215-36-0
• PubChem SID: 180673005
• PubChem CID: 10130214

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.48566
• LogD (pH = 7.4): -0.880044
• Log P: 0.43200713
• Molar Refractivity: 52.4438 cm^3
• Polarizability: 19.60407 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%