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

• ChemBase ID: 294782
• Molecular Formular: C9H14N4
• Molecular Mass: 178.23426
• Monoisotopic Mass: 178.12184647
• SMILES: C1CC(CCN1)Nc1ncccn1
• Canonical SMILES: N1CCC(CC1)Nc1ncccn1
• InChI: InChI=1S/C9H14N4/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)
• InChIKey: HQPSCRCCYZGOIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 69385-85-9
• MDL Number: MFCD09936150
• PubChem SID: 180680313
• PubChem CID: 18374737

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+%