4-(5-bromopyrimidin-2-yl)morpholine

• ChemBase ID: 64200
• Molecular Formular: C8H10BrN3O
• Molecular Mass: 244.0885
• Monoisotopic Mass: 243.00072396
• SMILES: c1(N2CCOCC2)ncc(cn1)Br
• Canonical SMILES: Brc1cnc(nc1)N1CCOCC1
• InChI: InChI=1S/C8H10BrN3O/c9-7-5-10-8(11-6-7)12-1-3-13-4-2-12/h5-6H,1-4H2
• InChIKey: CEXBOCXKAGPRHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-bromopyrimidin-2-yl)morpholine
• IUPAC Traditional name: 4-(5-bromopyrimidin-2-yl)morpholine
• Synonyms: 5-Bromo-2-morpholin-1-yl-pyrimidine; 5-Bromo-2-(morpholin-4-yl)pyrimidine; 4-(5-Bromopyrimidin-2-yl)morpholine

Database IDs

• CAS Number: 84539-22-0
• MDL Number: MFCD00483251
• PubChem SID: 162029939
• PubChem CID: 5144362

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3866371
• LogD (pH = 7.4): 1.3868152
• Log P: 1.3868175
• Molar Refractivity: 53.7942 cm^3
• Polarizability: 19.966763 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87-90°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%