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

• ChemBase ID: 66825
• Molecular Formular: C8H10BrN3O
• Molecular Mass: 244.0885
• Monoisotopic Mass: 243.00072396
• SMILES: N1(CCOCC1)c1nc(ccn1)Br
• Canonical SMILES: Brc1ccnc(n1)N1CCOCC1
• InChI: InChI=1S/C8H10BrN3O/c9-7-1-2-10-8(11-7)12-3-5-13-6-4-12/h1-2H,3-6H2
• InChIKey: AVLAJWPBZJNJDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 663194-10-3
• MDL Number: MFCD03861153
• PubChem SID: 162032561
• PubChem CID: 45787495

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5918885
• LogD (pH = 7.4): 1.5923338
• Log P: 1.5923395
• Molar Refractivity: 54.6364 cm^3
• Polarizability: 20.010561 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%