Home > Compound List > Compound details
50263-91-7 molecular structure
click picture or here to close

4-(2-fluorophenyl)-6-methyl-1H,2H-thieno[2,3-d]pyrimidin-2-one

ChemBase ID: 169239
Molecular Formular: C13H9FN2OS
Molecular Mass: 260.2867632
Monoisotopic Mass: 260.04196214
SMILES and InChIs

SMILES:
c1c(sc2c1c(nc(=O)[nH]2)c1ccccc1F)C
Canonical SMILES:
Cc1sc2c(c1)c(nc(=O)[nH]2)c1ccccc1F
InChI:
InChI=1S/C13H9FN2OS/c1-7-6-9-11(8-4-2-3-5-10(8)14)15-13(17)16-12(9)18-7/h2-6H,1H3,(H,15,16,17)
InChIKey:
ZSCWXOLBESBZFD-UHFFFAOYSA-N

Cite this record

CBID:169239 http://www.chembase.cn/molecule-169239.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-fluorophenyl)-6-methyl-1H,2H-thieno[2,3-d]pyrimidin-2-one
IUPAC Traditional name
4-(2-fluorophenyl)-6-methyl-1H-thieno[2,3-d]pyrimidin-2-one
Synonyms
4-(2-Fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2(1H)-one
CAS Number
50263-91-7
PubChem SID
162263371
PubChem CID
21487735

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC F595770 external link Add to cart
PubChem 21487735 external link
Data Source Data ID Price
TRC
F595770 external link Add to cart Please log in.
Data Source Data ID
PubChem 21487735 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.017572  H Acceptors
H Donor LogD (pH = 5.5) 3.651094 
LogD (pH = 7.4) 3.641389  Log P 3.6512191 
Molar Refractivity 68.6687 cm3 Polarizability 24.921862 Å3
Polar Surface Area 41.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Apperance
Yellow Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - F595770 external link
Thieno[2,3-d]pyrimidine derivative.

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