2-(thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine

C10H7F3N2S2 — CID 13317022

IUPAC2-(thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(SCc2cccs2)nc1
InChIInChI=1S/C10H7F3N2S2/c11-10(12,13)7-4-14-9(15-5-7)17-6-8-2-1-3-16-8/h1-5H,6H2
InChIKeyGIDIIKXHRDVQDI-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.85
Rot. Bonds3

About 2-(thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine

2-(thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine (PubChem CID 13317022) has the molecular formula C10H7F3N2S2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine
PubChem CID13317022
Molecular FormulaC10H7F3N2S2
Molecular Weight276.31 g/mol
Exact Mass276.00
IUPAC Name2-(thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(SCc2cccs2)nc1
InChIInChI=1S/C10H7F3N2S2/c11-10(12,13)7-4-14-9(15-5-7)17-6-8-2-1-3-16-8/h1-5H,6H2
InChIKeyGIDIIKXHRDVQDI-UHFFFAOYSA-N
XLogP3.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine (CID 13317022) is 2-(thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine is FC(F)(F)c1cnc(SCc2cccs2)nc1.
What is the InChIKey of 2-(thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is GIDIIKXHRDVQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2S2/c11-10(12,13)7-4-14-9(15-5-7)17-6-8-2-1-3-16-8/h1-5H,6H2.
What are the key properties of 2-(thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine?
2-(thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 276.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 13317022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).