Home > Compound List > Compound details
883230-68-0 molecular structure
click picture or here to close

5-bromo-2-(1H-imidazol-1-yl)pyrimidine

ChemBase ID: 806371
Molecular Formular: C7H5BrN4
Molecular Mass: 225.0454
Monoisotopic Mass: 223.96975818
SMILES and InChIs

SMILES:
c1(cnc(nc1)n1cncc1)Br
Canonical SMILES:
Brc1cnc(nc1)n1cncc1
InChI:
InChI=1S/C7H5BrN4/c8-6-3-10-7(11-4-6)12-2-1-9-5-12/h1-5H
InChIKey:
SCDMEQDXMQROEY-UHFFFAOYSA-N

Cite this record

CBID:806371 http://www.chembase.cn/molecule-806371.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2-(1H-imidazol-1-yl)pyrimidine
IUPAC Traditional name
5-bromo-2-(imidazol-1-yl)pyrimidine
Synonyms
5-BROMO-2-(1H-IMIDAZOL-1-YL)PYRIMIDINE
CAS Number
883230-68-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O23940 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O23940 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.85812384  LogD (pH = 7.4) 1.243381 
Log P 1.2604386  Molar Refractivity 58.2395 cm3
Polarizability 17.904825 Å3 Polar Surface Area 43.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle