4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyrimidine

C15H13FN2O2S — CID 46947549

IUPAC4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyrimidine
SMILESCOc1nccc(-c2cc3ccc(OCCF)cc3s2)n1
InChIInChI=1S/C15H13FN2O2S/c1-19-15-17-6-4-12(18-15)14-8-10-2-3-11(20-7-5-16)9-13(10)21-14/h2-4,6,8-9H,5,7H2,1H3
InChIKeyWPDIHZJYNCNTIW-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.72
Rot. Bonds5

About 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyrimidine

4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyrimidine (PubChem CID 46947549) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyrimidine.

Molecular Properties

Compound Name4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyrimidine
PubChem CID46947549
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyrimidine
SMILESCOc1nccc(-c2cc3ccc(OCCF)cc3s2)n1
InChIInChI=1S/C15H13FN2O2S/c1-19-15-17-6-4-12(18-15)14-8-10-2-3-11(20-7-5-16)9-13(10)21-14/h2-4,6,8-9H,5,7H2,1H3
InChIKeyWPDIHZJYNCNTIW-UHFFFAOYSA-N
XLogP3.72
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyrimidine?
The IUPAC name of 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyrimidine (CID 46947549) is 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyrimidine.
What is the SMILES notation for 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyrimidine?
The canonical SMILES for 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyrimidine is COc1nccc(-c2cc3ccc(OCCF)cc3s2)n1.
What is the InChIKey of 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyrimidine?
The InChIKey is WPDIHZJYNCNTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-19-15-17-6-4-12(18-15)14-8-10-2-3-11(20-7-5-16)9-13(10)21-14/h2-4,6,8-9H,5,7H2,1H3.
What are the key properties of 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyrimidine?
4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyrimidine has a molecular weight of 304.35 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-2-methoxypyrimidine is sourced from PubChem (CID 46947549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).