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

• ChemBase ID: 803870
• Molecular Formular: C9H14N4O
• Molecular Mass: 194.23366
• Monoisotopic Mass: 194.11676109
• SMILES: c1c(nc(nc1)OC)N1CCNCC1
• Canonical SMILES: COc1nccc(n1)N1CCNCC1
• InChI: InChI=1S/C9H14N4O/c1-14-9-11-3-2-8(12-9)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3
• InChIKey: ONDLCINDXQJXMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-(piperazin-1-yl)pyrimidine
• IUPAC Traditional name: 2-methoxy-4-(piperazin-1-yl)pyrimidine
• Synonyms: 2-METHOXY-4-(PIPERAZIN-1-YL)PYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.2594442
• LogD (pH = 7.4): -0.628553
• Log P: 0.73742324
• Molar Refractivity: 54.629 cm^3
• Polarizability: 20.376917 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%