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84539-22-0 molecular structure
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4-(5-bromopyrimidin-2-yl)morpholine

ChemBase ID: 64200
Molecular Formular: C8H10BrN3O
Molecular Mass: 244.0885
Monoisotopic Mass: 243.00072396
SMILES and InChIs

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

Cite this record

CBID:64200 http://www.chembase.cn/molecule-64200.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
84539-22-0
MDL Number
MFCD00483251
PubChem SID
162029939
PubChem CID
5144362

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3866371  LogD (pH = 7.4) 1.3868152 
Log P 1.3868175  Molar Refractivity 53.7942 cm3
Polarizability 19.966763 Å3 Polar Surface Area 38.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
87-90°C expand Show data source
Storage Warning
Harmful/Irritant/Light Sensitive expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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