4-[(4-bromo-2-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine

C13H8BrFN2OS — CID 4851312

IUPAC4-[(4-bromo-2-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine
SMILESFc1cc(Br)ccc1COc1ncnc2sccc12
InChIInChI=1S/C13H8BrFN2OS/c14-9-2-1-8(11(15)5-9)6-18-12-10-3-4-19-13(10)17-7-16-12/h1-5,7H,6H2
InChIKeyGSFCMPQJIXCDNS-UHFFFAOYSA-N
MW339.19 g/mol
LogP4.17
Rot. Bonds3

About 4-[(4-bromo-2-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine

4-[(4-bromo-2-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine (PubChem CID 4851312) has the molecular formula C13H8BrFN2OS and a molecular weight of 339.19 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine
PubChem CID4851312
Molecular FormulaC13H8BrFN2OS
Molecular Weight339.19 g/mol
Exact Mass337.95
IUPAC Name4-[(4-bromo-2-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine
SMILESFc1cc(Br)ccc1COc1ncnc2sccc12
InChIInChI=1S/C13H8BrFN2OS/c14-9-2-1-8(11(15)5-9)6-18-12-10-3-4-19-13(10)17-7-16-12/h1-5,7H,6H2
InChIKeyGSFCMPQJIXCDNS-UHFFFAOYSA-N
XLogP4.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(4-bromo-2-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine (CID 4851312) is 4-[(4-bromo-2-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(4-bromo-2-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(4-bromo-2-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine is Fc1cc(Br)ccc1COc1ncnc2sccc12.
What is the InChIKey of 4-[(4-bromo-2-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine?
The InChIKey is GSFCMPQJIXCDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2OS/c14-9-2-1-8(11(15)5-9)6-18-12-10-3-4-19-13(10)17-7-16-12/h1-5,7H,6H2.
What are the key properties of 4-[(4-bromo-2-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine?
4-[(4-bromo-2-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine has a molecular weight of 339.19 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 4851312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).