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

C12H6F2N2S — CID 58661209

IUPAC4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidine
SMILESFc1ccc(-c2ncnc3sccc23)cc1F
InChIInChI=1S/C12H6F2N2S/c13-9-2-1-7(5-10(9)14)11-8-3-4-17-12(8)16-6-15-11/h1-6H
InChIKeyPPQHRZIXBYQHBN-UHFFFAOYSA-N
MW248.26 g/mol
LogP3.64
Rot. Bonds1

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

4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidine (PubChem CID 58661209) has the molecular formula C12H6F2N2S and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidine
PubChem CID58661209
Molecular FormulaC12H6F2N2S
Molecular Weight248.26 g/mol
Exact Mass248.02
IUPAC Name4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidine
SMILESFc1ccc(-c2ncnc3sccc23)cc1F
InChIInChI=1S/C12H6F2N2S/c13-9-2-1-7(5-10(9)14)11-8-3-4-17-12(8)16-6-15-11/h1-6H
InChIKeyPPQHRZIXBYQHBN-UHFFFAOYSA-N
XLogP3.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidine (CID 58661209) is 4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidine is Fc1ccc(-c2ncnc3sccc23)cc1F.
What is the InChIKey of 4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidine?
The InChIKey is PPQHRZIXBYQHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2S/c13-9-2-1-7(5-10(9)14)11-8-3-4-17-12(8)16-6-15-11/h1-6H.
What are the key properties of 4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidine?
4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidine has a molecular weight of 248.26 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 58661209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).