2-pyrrolidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

C13H12F3N3S — CID 2991166

IUPAC2-pyrrolidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2cccs2)nc(N2CCCC2)n1
InChIInChI=1S/C13H12F3N3S/c14-13(15,16)11-8-9(10-4-3-7-20-10)17-12(18-11)19-5-1-2-6-19/h3-4,7-8H,1-2,5-6H2
InChIKeyACXYGJQXBRBJAY-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.82
Rot. Bonds2

About 2-pyrrolidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine

2-pyrrolidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 2991166) has the molecular formula C13H12F3N3S and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID2991166
Molecular FormulaC13H12F3N3S
Molecular Weight299.32 g/mol
Exact Mass299.07
IUPAC Name2-pyrrolidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(-c2cccs2)nc(N2CCCC2)n1
InChIInChI=1S/C13H12F3N3S/c14-13(15,16)11-8-9(10-4-3-7-20-10)17-12(18-11)19-5-1-2-6-19/h3-4,7-8H,1-2,5-6H2
InChIKeyACXYGJQXBRBJAY-UHFFFAOYSA-N
XLogP3.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-pyrrolidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine (CID 2991166) is 2-pyrrolidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-pyrrolidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-pyrrolidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(-c2cccs2)nc(N2CCCC2)n1.
What is the InChIKey of 2-pyrrolidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is ACXYGJQXBRBJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3S/c14-13(15,16)11-8-9(10-4-3-7-20-10)17-12(18-11)19-5-1-2-6-19/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 2-pyrrolidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine?
2-pyrrolidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 299.32 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 2991166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).