4-(methoxymethyl)-6-[4-(pyrazin-2-yl)piperazin-1-yl]pyrimidine

• ChemBase ID: 691987
• Molecular Formular: C14H18N6O
• Molecular Mass: 286.33232
• Monoisotopic Mass: 286.15420923
• SMILES: c1(N2CCN(c3nccnc3)CC2)cc(ncn1)COC
• Canonical SMILES: COCc1ncnc(c1)N1CCN(CC1)c1cnccn1
• InChI: InChI=1S/C14H18N6O/c1-21-10-12-8-13(18-11-17-12)19-4-6-20(7-5-19)14-9-15-2-3-16-14/h2-3,8-9,11H,4-7,10H2,1H3
• InChIKey: REVIWWKEIBNNAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(methoxymethyl)-6-[4-(pyrazin-2-yl)piperazin-1-yl]pyrimidine
• IUPAC Traditional name: 4-(methoxymethyl)-6-[4-(pyrazin-2-yl)piperazin-1-yl]pyrimidine
• Synonyms: 4-(methoxymethyl)-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 0.594678
• LogD (pH = 7.4): 0.6066827
• Log P: 0.6068379
• Molar Refractivity: 81.0576 cm^3
• Polarizability: 29.64729 Å^3
• Polar Surface Area: 67.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.16
• LOG S: -1.65
• Polar Surface Area: 67.27 Å^2
• Rotatable Bonds: 4