Home > Compound List > Compound details
16019-31-1 molecular structure
click picture or here to close

4,6-dichloro-5-(prop-2-en-1-yl)pyrimidine

ChemBase ID: 54890
Molecular Formular: C7H6Cl2N2
Molecular Mass: 189.04194
Monoisotopic Mass: 187.99080356
SMILES and InChIs

SMILES:
c1nc(c(c(n1)Cl)CC=C)Cl
Canonical SMILES:
C=CCc1c(Cl)ncnc1Cl
InChI:
InChI=1S/C7H6Cl2N2/c1-2-3-5-6(8)10-4-11-7(5)9/h2,4H,1,3H2
InChIKey:
PDLIUMXRLQCZRG-UHFFFAOYSA-N

Cite this record

CBID:54890 http://www.chembase.cn/molecule-54890.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dichloro-5-(prop-2-en-1-yl)pyrimidine
IUPAC Traditional name
4,6-dichloro-5-(prop-2-en-1-yl)pyrimidine
Synonyms
5-Allyl-4,6-dichloropyrimidine
CAS Number
16019-31-1
MDL Number
MFCD11053501
PubChem SID
162059653
PubChem CID
519208

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
059842 external link Add to cart Please log in.
Data Source Data ID
PubChem 519208 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7967498  LogD (pH = 7.4) 2.7967498 
Log P 2.7967498  Molar Refractivity 48.7418 cm3
Polarizability 17.75029 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>96% 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