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

C12H5Cl2FN2S — CID 89247506

IUPAC4-chloro-2-(3-chloro-4-fluorophenyl)thieno[3,2-d]pyrimidine
SMILESFc1ccc(-c2nc(Cl)c3sccc3n2)cc1Cl
InChIInChI=1S/C12H5Cl2FN2S/c13-7-5-6(1-2-8(7)15)12-16-9-3-4-18-10(9)11(14)17-12/h1-5H
InChIKeyJRBUUFSECODURU-UHFFFAOYSA-N
MW299.16 g/mol
LogP4.80
Rot. Bonds1

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

4-chloro-2-(3-chloro-4-fluorophenyl)thieno[3,2-d]pyrimidine (PubChem CID 89247506) has the molecular formula C12H5Cl2FN2S and a molecular weight of 299.16 g/mol. Its IUPAC name is 4-chloro-2-(3-chloro-4-fluorophenyl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-chloro-4-fluorophenyl)thieno[3,2-d]pyrimidine
PubChem CID89247506
Molecular FormulaC12H5Cl2FN2S
Molecular Weight299.16 g/mol
Exact Mass297.95
IUPAC Name4-chloro-2-(3-chloro-4-fluorophenyl)thieno[3,2-d]pyrimidine
SMILESFc1ccc(-c2nc(Cl)c3sccc3n2)cc1Cl
InChIInChI=1S/C12H5Cl2FN2S/c13-7-5-6(1-2-8(7)15)12-16-9-3-4-18-10(9)11(14)17-12/h1-5H
InChIKeyJRBUUFSECODURU-UHFFFAOYSA-N
XLogP4.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-chloro-4-fluorophenyl)thieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-(3-chloro-4-fluorophenyl)thieno[3,2-d]pyrimidine (CID 89247506) is 4-chloro-2-(3-chloro-4-fluorophenyl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(3-chloro-4-fluorophenyl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(3-chloro-4-fluorophenyl)thieno[3,2-d]pyrimidine is Fc1ccc(-c2nc(Cl)c3sccc3n2)cc1Cl.
What is the InChIKey of 4-chloro-2-(3-chloro-4-fluorophenyl)thieno[3,2-d]pyrimidine?
The InChIKey is JRBUUFSECODURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2FN2S/c13-7-5-6(1-2-8(7)15)12-16-9-3-4-18-10(9)11(14)17-12/h1-5H.
What are the key properties of 4-chloro-2-(3-chloro-4-fluorophenyl)thieno[3,2-d]pyrimidine?
4-chloro-2-(3-chloro-4-fluorophenyl)thieno[3,2-d]pyrimidine has a molecular weight of 299.16 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-chloro-4-fluorophenyl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 89247506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).