2-chloro-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine

C13H6ClF3N2S — CID 86673222

IUPAC2-chloro-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine
SMILESFC(F)(F)c1ccccc1-c1csc2cnc(Cl)nc12
InChIInChI=1S/C13H6ClF3N2S/c14-12-18-5-10-11(19-12)8(6-20-10)7-3-1-2-4-9(7)13(15,16)17/h1-6H
InChIKeyAJEZGZGQWLWNOR-UHFFFAOYSA-N
MW314.72 g/mol
LogP5.03
Rot. Bonds1

About 2-chloro-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine

2-chloro-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine (PubChem CID 86673222) has the molecular formula C13H6ClF3N2S and a molecular weight of 314.72 g/mol. Its IUPAC name is 2-chloro-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine
PubChem CID86673222
Molecular FormulaC13H6ClF3N2S
Molecular Weight314.72 g/mol
Exact Mass313.99
IUPAC Name2-chloro-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine
SMILESFC(F)(F)c1ccccc1-c1csc2cnc(Cl)nc12
InChIInChI=1S/C13H6ClF3N2S/c14-12-18-5-10-11(19-12)8(6-20-10)7-3-1-2-4-9(7)13(15,16)17/h1-6H
InChIKeyAJEZGZGQWLWNOR-UHFFFAOYSA-N
XLogP5.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.72
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine (CID 86673222) is 2-chloro-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine is FC(F)(F)c1ccccc1-c1csc2cnc(Cl)nc12.
What is the InChIKey of 2-chloro-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine?
The InChIKey is AJEZGZGQWLWNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N2S/c14-12-18-5-10-11(19-12)8(6-20-10)7-3-1-2-4-9(7)13(15,16)17/h1-6H.
What are the key properties of 2-chloro-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine?
2-chloro-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine has a molecular weight of 314.72 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[2-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 86673222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).