6-(piperidin-4-yl)-N-(pyrimidin-2-yl)pyrazin-2-amine hydrochloride

• ChemBase ID: 62314
• Molecular Formular: C13H17ClN6
• Molecular Mass: 292.76728
• Monoisotopic Mass: 292.12032225
• SMILES: N(c1ncccn1)c1nc(C2CCNCC2)cnc1.Cl
• Canonical SMILES: N1CCC(CC1)c1cncc(n1)Nc1ncccn1.Cl
• InChI: InChI=1S/C13H16N6.ClH/c1-4-16-13(17-5-1)19-12-9-15-8-11(18-12)10-2-6-14-7-3-10;/h1,4-5,8-10,14H,2-3,6-7H2,(H,16,17,18,19);1H
• InChIKey: PIGDPBNAVFVUIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(piperidin-4-yl)-N-(pyrimidin-2-yl)pyrazin-2-amine hydrochloride
• IUPAC Traditional name: 6-(piperidin-4-yl)-N-(pyrimidin-2-yl)pyrazin-2-amine hydrochloride
• Synonyms: (6-Piperidin-4-yl-pyrazin-2-yl)-pyrimidin-2-yl-amine hydrochloride

Database IDs

• MDL Number: MFCD21605906
• PubChem SID: 162028053
• PubChem CID: 71298655

CALCULATED PROPERTIES

• Acid pKa: 8.463304
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -2.639443
• LogD (pH = 7.4): -1.7710656
• Log P: -0.8474798
• Molar Refractivity: 72.1773 cm^3
• Polarizability: 27.40847 Å^3
• Polar Surface Area: 75.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false