2-(pyrimidin-5-yl)-6-(pyrrolidine-1-carbonyl)pyrazine

• ChemBase ID: 733632
• Molecular Formular: C13H13N5O
• Molecular Mass: 255.27522
• Monoisotopic Mass: 255.11201006
• SMILES: c1(C(=O)N2CCCC2)nc(c2cncnc2)cnc1
• Canonical SMILES: O=C(c1cncc(n1)c1cncnc1)N1CCCC1
• InChI: InChI=1S/C13H13N5O/c19-13(18-3-1-2-4-18)12-8-14-7-11(17-12)10-5-15-9-16-6-10/h5-9H,1-4H2
• InChIKey: MARSJVGFLLLOSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrimidin-5-yl)-6-(pyrrolidine-1-carbonyl)pyrazine
• IUPAC Traditional name: 2-(pyrimidin-5-yl)-6-(pyrrolidine-1-carbonyl)pyrazine
• Synonyms: 5-[6-(pyrrolidin-1-ylcarbonyl)pyrazin-2-yl]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.26290002
• LogD (pH = 7.4): -0.2628936
• Log P: -0.2628935
• Molar Refractivity: 69.2135 cm^3
• Polarizability: 27.186909 Å^3
• Polar Surface Area: 71.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.94
• LOG S: -1.57
• Polar Surface Area: 71.87 Å^2
• Rotatable Bonds: 2