Home > Compound List > Compound details
57892-71-4 molecular structure
click picture or here to close

2-(chloromethyl)imidazo[1,2-a]pyrimidine

ChemBase ID: 57175
Molecular Formular: C7H6ClN3
Molecular Mass: 167.59564
Monoisotopic Mass: 167.02502489
SMILES and InChIs

SMILES:
c1ccn2c(nc(CCl)c2)n1
Canonical SMILES:
ClCc1cn2c(n1)nccc2
InChI:
InChI=1S/C7H6ClN3/c8-4-6-5-11-3-1-2-9-7(11)10-6/h1-3,5H,4H2
InChIKey:
MUPOENNBNNSJQP-UHFFFAOYSA-N

Cite this record

CBID:57175 http://www.chembase.cn/molecule-57175.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(chloromethyl)imidazo[1,2-a]pyrimidine
IUPAC Traditional name
2-(chloromethyl)imidazo[1,2-a]pyrimidine
Synonyms
2-(Chloromethyl)imidazo[1,2-a]pyrimidine
CAS Number
57892-71-4
MDL Number
MFCD05858431
PubChem SID
162061938
PubChem CID
1417908

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1417908 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.47484878  LogD (pH = 7.4) 0.47599426 
Log P 0.4760089  Molar Refractivity 44.1343 cm3
Polarizability 16.100174 Å3 Polar Surface Area 30.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
125 - 127°C expand Show data source
Hydrophobicity(logP)
0.659 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% 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