4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine

C15H9F3N2S — CID 127050011

IUPAC4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1cccc(-c2cncnc2-c2cccs2)c1
InChIInChI=1S/C15H9F3N2S/c16-15(17,18)11-4-1-3-10(7-11)12-8-19-9-20-14(12)13-5-2-6-21-13/h1-9H
InChIKeyUIDDKCXGAYHEGD-UHFFFAOYSA-N
MW306.31 g/mol
LogP4.89
Rot. Bonds2

About 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine

4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 127050011) has the molecular formula C15H9F3N2S and a molecular weight of 306.31 g/mol. Its IUPAC name is 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine
PubChem CID127050011
Molecular FormulaC15H9F3N2S
Molecular Weight306.31 g/mol
Exact Mass306.04
IUPAC Name4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1cccc(-c2cncnc2-c2cccs2)c1
InChIInChI=1S/C15H9F3N2S/c16-15(17,18)11-4-1-3-10(7-11)12-8-19-9-20-14(12)13-5-2-6-21-13/h1-9H
InChIKeyUIDDKCXGAYHEGD-UHFFFAOYSA-N
XLogP4.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine (CID 127050011) is 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1cccc(-c2cncnc2-c2cccs2)c1.
What is the InChIKey of 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is UIDDKCXGAYHEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2S/c16-15(17,18)11-4-1-3-10(7-11)12-8-19-9-20-14(12)13-5-2-6-21-13/h1-9H.
What are the key properties of 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine?
4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 306.31 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 127050011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).