6-methyl-2-(piperidin-3-yl)-N-(pyrazin-2-yl)pyrimidin-4-amine hydrochloride

• ChemBase ID: 62803
• Molecular Formular: C14H19ClN6
• Molecular Mass: 306.79386
• Monoisotopic Mass: 306.13597232
• SMILES: c1(nc(Nc2nccnc2)cc(n1)C)C1CNCCC1.Cl
• Canonical SMILES: Cc1cc(nc(n1)C1CCCNC1)Nc1cnccn1.Cl
• InChI: InChI=1S/C14H18N6.ClH/c1-10-7-12(19-13-9-16-5-6-17-13)20-14(18-10)11-3-2-4-15-8-11;/h5-7,9,11,15H,2-4,8H2,1H3,(H,17,18,19,20);1H
• InChIKey: BTSBWQQAUNLQQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-(piperidin-3-yl)-N-(pyrazin-2-yl)pyrimidin-4-amine hydrochloride
• IUPAC Traditional name: 6-methyl-2-(piperidin-3-yl)-N-(pyrazin-2-yl)pyrimidin-4-amine hydrochloride
• Synonyms: (6-Methyl-2-piperidin-3-yl-pyrimidin-4-yl)-pyrazin-2-yl-amine hydrochloride

Database IDs

• MDL Number: MFCD21606081
• PubChem SID: 162028542
• PubChem CID: 71298815

CALCULATED PROPERTIES

• Acid pKa: 11.381881
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -2.2873511
• LogD (pH = 7.4): -1.0797211
• Log P: 0.8653886
• Molar Refractivity: 77.0152 cm^3
• Polarizability: 29.166882 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