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

• ChemBase ID: 309952
• Molecular Formular: C9H14N4
• Molecular Mass: 178.23426
• Monoisotopic Mass: 178.12184647
• SMILES: n1c(nccc1C1CCNCC1)N
• Canonical SMILES: Nc1nccc(n1)C1CCNCC1
• InChI: InChI=1S/C9H14N4/c10-9-12-6-3-8(13-9)7-1-4-11-5-2-7/h3,6-7,11H,1-2,4-5H2,(H2,10,12,13)
• InChIKey: FAWKNCWEOCFRFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-4-yl)pyrimidin-2-amine
• IUPAC Traditional name: 4-(piperidin-4-yl)pyrimidin-2-amine
• Synonyms: 4-(4-piperidinyl)-2-pyrimidinamine

Database IDs

• CAS Number: 1211532-88-5
• MDL Number: MFCD16093642

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.0963657
• LogD (pH = 7.4): -2.341406
• Log P: 0.13454358
• Molar Refractivity: 52.3918 cm^3
• Polarizability: 19.603714 Å^3
• Polar Surface Area: 63.83 Å^2