2-methoxy-4-(piperidin-4-yl)pyrimidine

• ChemBase ID: 814350
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: c1c(nc(nc1)OC)C1CCNCC1
• Canonical SMILES: COc1nccc(n1)C1CCNCC1
• InChI: InChI=1S/C10H15N3O/c1-14-10-12-7-4-9(13-10)8-2-5-11-6-3-8/h4,7-8,11H,2-3,5-6H2,1H3
• InChIKey: YKKKWPFTEYUGIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-(piperidin-4-yl)pyrimidine
• IUPAC Traditional name: 2-methoxy-4-(piperidin-4-yl)pyrimidine
• Synonyms: 2-methoxy-4-(piperidin-4-yl)pyrimidine

Database IDs

• CAS Number: 1196146-37-8

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.4092176
• LogD (pH = 7.4): -1.6517001
• Log P: 0.8057983
• Molar Refractivity: 54.1546 cm^3
• Polarizability: 20.992516 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%