N-[2-methyl-6-(pyrrolidin-2-yl)pyridin-4-yl]pyrazin-2-amine

• ChemBase ID: 62424
• Molecular Formular: C14H17N5
• Molecular Mass: 255.31828
• Monoisotopic Mass: 255.14839557
• SMILES: n1c(cc(Nc2nccnc2)cc1C)C1NCCC1
• Canonical SMILES: Cc1cc(Nc2nccnc2)cc(n1)C1CCCN1
• InChI: InChI=1S/C14H17N5/c1-10-7-11(19-14-9-15-5-6-17-14)8-13(18-10)12-3-2-4-16-12/h5-9,12,16H,2-4H2,1H3,(H,17,18,19)
• InChIKey: WYZPLCAFWAWGJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methyl-6-(pyrrolidin-2-yl)pyridin-4-yl]pyrazin-2-amine
• IUPAC Traditional name: N-[2-methyl-6-(pyrrolidin-2-yl)pyridin-4-yl]pyrazin-2-amine
• Synonyms: (2-Methyl-6-pyrrolidin-2-yl-pyridin-4-yl)-pyrazin-2-yl-amine

Database IDs

• MDL Number: MFCD21605979
• PubChem SID: 162028163
• PubChem CID: 66509300

CALCULATED PROPERTIES

• Acid pKa: 14.44404
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.605471
• LogD (pH = 7.4): -1.2592113
• Log P: 0.7435565
• Molar Refractivity: 72.9906 cm^3
• Polarizability: 28.288475 Å^3
• Polar Surface Area: 62.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false