2-(2-thiophen-2-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

C20H10F6N4S — CID 141215435

IUPAC2-(2-thiophen-2-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-c3ccnc(-c4cccs4)c3)n2)cn1
InChIInChI=1S/C20H10F6N4S/c21-19(22,23)16-4-3-12(10-28-16)13-9-17(20(24,25)26)30-18(29-13)11-5-6-27-14(8-11)15-2-1-7-31-15/h1-10H
InChIKeyWUZLKPLQKMIGER-UHFFFAOYSA-N
MW452.38 g/mol
LogP6.37
Rot. Bonds3

About 2-(2-thiophen-2-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

2-(2-thiophen-2-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (PubChem CID 141215435) has the molecular formula C20H10F6N4S and a molecular weight of 452.38 g/mol. Its IUPAC name is 2-(2-thiophen-2-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name2-(2-thiophen-2-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
PubChem CID141215435
Molecular FormulaC20H10F6N4S
Molecular Weight452.38 g/mol
Exact Mass452.05
IUPAC Name2-(2-thiophen-2-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-c3ccnc(-c4cccs4)c3)n2)cn1
InChIInChI=1S/C20H10F6N4S/c21-19(22,23)16-4-3-12(10-28-16)13-9-17(20(24,25)26)30-18(29-13)11-5-6-27-14(8-11)15-2-1-7-31-15/h1-10H
InChIKeyWUZLKPLQKMIGER-UHFFFAOYSA-N
XLogP6.37
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.38
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The IUPAC name of 2-(2-thiophen-2-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (CID 141215435) is 2-(2-thiophen-2-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.
What is the SMILES notation for 2-(2-thiophen-2-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The canonical SMILES for 2-(2-thiophen-2-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is FC(F)(F)c1ccc(-c2cc(C(F)(F)F)nc(-c3ccnc(-c4cccs4)c3)n2)cn1.
What is the InChIKey of 2-(2-thiophen-2-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The InChIKey is WUZLKPLQKMIGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F6N4S/c21-19(22,23)16-4-3-12(10-28-16)13-9-17(20(24,25)26)30-18(29-13)11-5-6-27-14(8-11)15-2-1-7-31-15/h1-10H.
What are the key properties of 2-(2-thiophen-2-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
2-(2-thiophen-2-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine has a molecular weight of 452.38 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 141215435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).