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

C12H4ClF3N2S — CID 11716390

IUPAC4-chloro-2-(3,4,5-trifluorophenyl)thieno[3,2-d]pyrimidine
SMILESFc1cc(-c2nc(Cl)c3sccc3n2)cc(F)c1F
InChIInChI=1S/C12H4ClF3N2S/c13-11-10-8(1-2-19-10)17-12(18-11)5-3-6(14)9(16)7(15)4-5/h1-4H
InChIKeyGEPISSZCZLSRNF-UHFFFAOYSA-N
MW300.69 g/mol
LogP4.43
Rot. Bonds1

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

4-chloro-2-(3,4,5-trifluorophenyl)thieno[3,2-d]pyrimidine (PubChem CID 11716390) has the molecular formula C12H4ClF3N2S and a molecular weight of 300.69 g/mol. Its IUPAC name is 4-chloro-2-(3,4,5-trifluorophenyl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3,4,5-trifluorophenyl)thieno[3,2-d]pyrimidine
PubChem CID11716390
Molecular FormulaC12H4ClF3N2S
Molecular Weight300.69 g/mol
Exact Mass299.97
IUPAC Name4-chloro-2-(3,4,5-trifluorophenyl)thieno[3,2-d]pyrimidine
SMILESFc1cc(-c2nc(Cl)c3sccc3n2)cc(F)c1F
InChIInChI=1S/C12H4ClF3N2S/c13-11-10-8(1-2-19-10)17-12(18-11)5-3-6(14)9(16)7(15)4-5/h1-4H
InChIKeyGEPISSZCZLSRNF-UHFFFAOYSA-N
XLogP4.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.69
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-chloro-2-(3,4,5-trifluorophenyl)thieno[3,2-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-chloro-2-(3,4,5-trifluorophenyl)thieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-(3,4,5-trifluorophenyl)thieno[3,2-d]pyrimidine (CID 11716390) is 4-chloro-2-(3,4,5-trifluorophenyl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(3,4,5-trifluorophenyl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(3,4,5-trifluorophenyl)thieno[3,2-d]pyrimidine is Fc1cc(-c2nc(Cl)c3sccc3n2)cc(F)c1F.
What is the InChIKey of 4-chloro-2-(3,4,5-trifluorophenyl)thieno[3,2-d]pyrimidine?
The InChIKey is GEPISSZCZLSRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4ClF3N2S/c13-11-10-8(1-2-19-10)17-12(18-11)5-3-6(14)9(16)7(15)4-5/h1-4H.
What are the key properties of 4-chloro-2-(3,4,5-trifluorophenyl)thieno[3,2-d]pyrimidine?
4-chloro-2-(3,4,5-trifluorophenyl)thieno[3,2-d]pyrimidine has a molecular weight of 300.69 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,4,5-trifluorophenyl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 11716390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).