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

C13H7F3N2OS — CID 138038554

IUPAC4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2ncnc3ccsc23)c1
InChIInChI=1S/C13H7F3N2OS/c14-13(15,16)8-2-1-3-9(6-8)19-12-11-10(4-5-20-11)17-7-18-12/h1-7H
InChIKeyZXOLCLFSGFSCDV-UHFFFAOYSA-N
MW296.27 g/mol
LogP4.50
Rot. Bonds2

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

4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine (PubChem CID 138038554) has the molecular formula C13H7F3N2OS and a molecular weight of 296.27 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine
PubChem CID138038554
Molecular FormulaC13H7F3N2OS
Molecular Weight296.27 g/mol
Exact Mass296.02
IUPAC Name4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2ncnc3ccsc23)c1
InChIInChI=1S/C13H7F3N2OS/c14-13(15,16)8-2-1-3-9(6-8)19-12-11-10(4-5-20-11)17-7-18-12/h1-7H
InChIKeyZXOLCLFSGFSCDV-UHFFFAOYSA-N
XLogP4.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-(trifluoromethyl)phenoxy]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

Related Compounds

N-[3-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine
CID 170560489
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
4-(4-bromo-3-methylphenoxy)thieno[3,2-d]pyrimidine
CID 83132793
6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 20963306
5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 3760290
1-[5-(2-thieno[3,2-d]pyrimidin-4-yloxyethyl)-1,3-thiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 143208161
[5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910964
3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
CID 6930221
4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyaniline
CID 43520274
(Z)-3-methoxy-2-[4-methoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]prop-2-enoic acid
CID 67667683
3-chloro-4-thieno[3,2-d]pyrimidin-4-yloxyaniline
CID 43364090
5-iodo-2-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 13336606

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine (CID 138038554) is 4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine is FC(F)(F)c1cccc(Oc2ncnc3ccsc23)c1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine?
The InChIKey is ZXOLCLFSGFSCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2OS/c14-13(15,16)8-2-1-3-9(6-8)19-12-11-10(4-5-20-11)17-7-18-12/h1-7H.
What are the key properties of 4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine?
4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine has a molecular weight of 296.27 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 138038554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).