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

C20H11F5N4S — CID 141215438

IUPAC4-(difluoromethyl)-2-(2-thiophen-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFC(F)c1cc(-c2ccc(C(F)(F)F)nc2)nc(-c2ccnc(-c3cccs3)c2)n1
InChIInChI=1S/C20H11F5N4S/c21-18(22)15-9-13(12-3-4-17(27-10-12)20(23,24)25)28-19(29-15)11-5-6-26-14(8-11)16-2-1-7-30-16/h1-10,18H
InChIKeyJAKPGFJUUUBIKW-UHFFFAOYSA-N
MW434.39 g/mol
LogP6.29
Rot. Bonds4

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

4-(difluoromethyl)-2-(2-thiophen-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (PubChem CID 141215438) has the molecular formula C20H11F5N4S and a molecular weight of 434.39 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(2-thiophen-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(2-thiophen-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
PubChem CID141215438
Molecular FormulaC20H11F5N4S
Molecular Weight434.39 g/mol
Exact Mass434.06
IUPAC Name4-(difluoromethyl)-2-(2-thiophen-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESFC(F)c1cc(-c2ccc(C(F)(F)F)nc2)nc(-c2ccnc(-c3cccs3)c2)n1
InChIInChI=1S/C20H11F5N4S/c21-18(22)15-9-13(12-3-4-17(27-10-12)20(23,24)25)28-19(29-15)11-5-6-26-14(8-11)16-2-1-7-30-16/h1-10,18H
InChIKeyJAKPGFJUUUBIKW-UHFFFAOYSA-N
XLogP6.29
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.39
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(difluoromethyl)-2-(2-thiophen-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(2-thiophen-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The IUPAC name of 4-(difluoromethyl)-2-(2-thiophen-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (CID 141215438) is 4-(difluoromethyl)-2-(2-thiophen-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.
What is the SMILES notation for 4-(difluoromethyl)-2-(2-thiophen-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The canonical SMILES for 4-(difluoromethyl)-2-(2-thiophen-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is FC(F)c1cc(-c2ccc(C(F)(F)F)nc2)nc(-c2ccnc(-c3cccs3)c2)n1.
What is the InChIKey of 4-(difluoromethyl)-2-(2-thiophen-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The InChIKey is JAKPGFJUUUBIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F5N4S/c21-18(22)15-9-13(12-3-4-17(27-10-12)20(23,24)25)28-19(29-15)11-5-6-26-14(8-11)16-2-1-7-30-16/h1-10,18H.
What are the key properties of 4-(difluoromethyl)-2-(2-thiophen-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
4-(difluoromethyl)-2-(2-thiophen-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine has a molecular weight of 434.39 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(2-thiophen-2-yl-4-pyridinyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 141215438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).