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

C19H10F4N2OS — CID 3760290

IUPAC5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
SMILESFc1ccc(-c2csc3ncnc(Oc4cccc(C(F)(F)F)c4)c23)cc1
InChIInChI=1S/C19H10F4N2OS/c20-13-6-4-11(5-7-13)15-9-27-18-16(15)17(24-10-25-18)26-14-3-1-2-12(8-14)19(21,22)23/h1-10H
InChIKeyNOPYAHWHKLWJBT-UHFFFAOYSA-N
MW390.36 g/mol
LogP6.31
Rot. Bonds3

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

5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine (PubChem CID 3760290) has the molecular formula C19H10F4N2OS and a molecular weight of 390.36 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
PubChem CID3760290
Molecular FormulaC19H10F4N2OS
Molecular Weight390.36 g/mol
Exact Mass390.04
IUPAC Name5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
SMILESFc1ccc(-c2csc3ncnc(Oc4cccc(C(F)(F)F)c4)c23)cc1
InChIInChI=1S/C19H10F4N2OS/c20-13-6-4-11(5-7-13)15-9-27-18-16(15)17(24-10-25-18)26-14-3-1-2-12(8-14)19(21,22)23/h1-10H
InChIKeyNOPYAHWHKLWJBT-UHFFFAOYSA-N
XLogP6.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.36
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]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

Related Compounds

4-(1,3-benzodioxol-5-yloxy)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine
CID 8894236
5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine
CID 11668030
5-(4-fluorophenyl)-4-[3-(3-methoxyphenoxy)propoxy]thieno[2,3-d]pyrimidine
CID 11538792
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanol
CID 68534883
6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 20963306
5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28849118
4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine
CID 138038554
4-(2,5-dimethylphenoxy)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
CID 3487676
5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 2241086
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyethanone
CID 2483989
N-(2,5-difluorophenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483830
4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde
CID 4737873

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine (CID 3760290) is 5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine is Fc1ccc(-c2csc3ncnc(Oc4cccc(C(F)(F)F)c4)c23)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine?
The InChIKey is NOPYAHWHKLWJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F4N2OS/c20-13-6-4-11(5-7-13)15-9-27-18-16(15)17(24-10-25-18)26-14-3-1-2-12(8-14)19(21,22)23/h1-10H.
What are the key properties of 5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine?
5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine has a molecular weight of 390.36 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 3760290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).