4-(2-chloropyrimidin-4-yl)morpholine

• ChemBase ID: 239277
• Molecular Formular: C8H10ClN3O
• Molecular Mass: 199.6375
• Monoisotopic Mass: 199.05123964
• SMILES: n1c(N2CCOCC2)ccnc1Cl
• Canonical SMILES: Clc1nccc(n1)N1CCOCC1
• InChI: InChI=1S/C8H10ClN3O/c9-8-10-2-1-7(11-8)12-3-5-13-6-4-12/h1-2H,3-6H2
• InChIKey: BBBSLVBHDCHLIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-chloropyrimidin-4-yl)morpholine
• IUPAC Traditional name: 4-(2-chloropyrimidin-4-yl)morpholine
• Synonyms: 4-(2-chloropyrimidin-4-yl)morpholine

Database IDs

• MDL Number: MFCD00981910
• PubChem SID: 164295187
• PubChem CID: 1714697

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4418367
• LogD (pH = 7.4): 1.4422811
• Log P: 1.4422867
• Molar Refractivity: 52.0375 cm^3
• Polarizability: 19.069407 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 111 - 113°C
• Hydrophobicity(logP): 0.631

Product Information

• Purity: 95%