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

• ChemBase ID: 294846
• Molecular Formular: C9H15ClN4
• Molecular Mass: 214.6952
• Monoisotopic Mass: 214.09852418
• SMILES: Cl.C1CC(CCN1)Nc1ncccn1
• Canonical SMILES: N1CCC(CC1)Nc1ncccn1.Cl
• InChI: InChI=1S/C9H14N4.ClH/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8;/h1,4-5,8,10H,2-3,6-7H2,(H,11,12,13);1H
• InChIKey: AOQWLUWWMVCOIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 950649-10-2
• MDL Number: MFCDN/A8752676
• PubChem SID: 180680377
• PubChem CID: 19737304

CALCULATED PROPERTIES

• Acid pKa: 15.170043
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.3757975
• LogD (pH = 7.4): -2.6503644
• Log P: -0.1549422
• Molar Refractivity: 53.0185 cm^3
• Polarizability: 19.68212 Å^3
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%