4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine

C12H6ClFN2S — CID 2782911

IUPAC4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine
SMILESFc1ccc(-c2csc3ncnc(Cl)c23)cc1
InChIInChI=1S/C12H6ClFN2S/c13-11-10-9(5-17-12(10)16-6-15-11)7-1-3-8(14)4-2-7/h1-6H
InChIKeyCPLNBRLGQDLEKP-UHFFFAOYSA-N
MW264.71 g/mol
LogP4.15
Rot. Bonds1

About 4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine

4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine (PubChem CID 2782911) has the molecular formula C12H6ClFN2S and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine
PubChem CID2782911
Molecular FormulaC12H6ClFN2S
Molecular Weight264.71 g/mol
Exact Mass263.99
IUPAC Name4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine
SMILESFc1ccc(-c2csc3ncnc(Cl)c23)cc1
InChIInChI=1S/C12H6ClFN2S/c13-11-10-9(5-17-12(10)16-6-15-11)7-1-3-8(14)4-2-7/h1-6H
InChIKeyCPLNBRLGQDLEKP-UHFFFAOYSA-N
XLogP4.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine (CID 2782911) is 4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine is Fc1ccc(-c2csc3ncnc(Cl)c23)cc1.
What is the InChIKey of 4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine?
The InChIKey is CPLNBRLGQDLEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFN2S/c13-11-10-9(5-17-12(10)16-6-15-11)7-1-3-8(14)4-2-7/h1-6H.
What are the key properties of 4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine?
4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine has a molecular weight of 264.71 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 2782911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).