6-(pyrrolidin-1-yl)pyrazin-2-amine

• ChemBase ID: 237108
• Molecular Formular: C8H12N4
• Molecular Mass: 164.20768
• Monoisotopic Mass: 164.1061964
• SMILES: n1c(N2CCCC2)cncc1N
• Canonical SMILES: Nc1cncc(n1)N1CCCC1
• InChI: InChI=1S/C8H12N4/c9-7-5-10-6-8(11-7)12-3-1-2-4-12/h5-6H,1-4H2,(H2,9,11)
• InChIKey: DRGYQBNAVLYUSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(pyrrolidin-1-yl)pyrazin-2-amine
• IUPAC Traditional name: 6-(pyrrolidin-1-yl)pyrazin-2-amine
• Synonyms: 6-(pyrrolidin-1-yl)pyrazin-2-amine

Database IDs

• MDL Number: MFCD19543785
• PubChem SID: 164293018
• PubChem CID: 66520349

CALCULATED PROPERTIES

• Molar Refractivity: 49.0412 cm^3
• Polarizability: 17.457644 Å^3
• Polar Surface Area: 55.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.40552482
• LogD (pH = 7.4): 0.41165268
• Log P: 0.4117314

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.696

Product Information

• Purity: 95%