N,N-dimethyl-6-(pyrrolidin-2-yl)pyrazin-2-amine dihydrochloride

• ChemBase ID: 62841
• Molecular Formular: C10H18Cl2N4
• Molecular Mass: 265.18272
• Monoisotopic Mass: 264.09085196
• SMILES: n1c(N(C)C)cncc1C1NCCC1.Cl.Cl
• Canonical SMILES: CN(c1cncc(n1)C1CCCN1)C.Cl.Cl
• InChI: InChI=1S/C10H16N4.2ClH/c1-14(2)10-7-11-6-9(13-10)8-4-3-5-12-8;;/h6-8,12H,3-5H2,1-2H3;2*1H
• InChIKey: LIUPQXHALZAKTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-6-(pyrrolidin-2-yl)pyrazin-2-amine dihydrochloride
• IUPAC Traditional name: N,N-dimethyl-6-(pyrrolidin-2-yl)pyrazin-2-amine dihydrochloride
• Synonyms: Dimethyl-(6-pyrrolidin-2-yl-pyrazin-2-yl)-amine dihydrochloride

Database IDs

• MDL Number: MFCD21606109
• PubChem SID: 162028580
• PubChem CID: 71298844

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.5849006
• LogD (pH = 7.4): -1.1941743
• Log P: 0.49797684
• Molar Refractivity: 56.4984 cm^3
• Polarizability: 21.516436 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false