N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine

C11H10F3N3S — CID 72898770

IUPACN-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nccc(NCCc2cccs2)n1
InChIInChI=1S/C11H10F3N3S/c12-11(13,14)10-16-6-4-9(17-10)15-5-3-8-2-1-7-18-8/h1-2,4,6-7H,3,5H2,(H,15,16,17)
InChIKeySQDLBZLYZOVOKU-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.21
Rot. Bonds4

About N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine

N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 72898770) has the molecular formula C11H10F3N3S and a molecular weight of 273.28 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID72898770
Molecular FormulaC11H10F3N3S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC NameN-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nccc(NCCc2cccs2)n1
InChIInChI=1S/C11H10F3N3S/c12-11(13,14)10-16-6-4-9(17-10)15-5-3-8-2-1-7-18-8/h1-2,4,6-7H,3,5H2,(H,15,16,17)
InChIKeySQDLBZLYZOVOKU-UHFFFAOYSA-N
XLogP3.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 72898770) is N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1nccc(NCCc2cccs2)n1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SQDLBZLYZOVOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3S/c12-11(13,14)10-16-6-4-9(17-10)15-5-3-8-2-1-7-18-8/h1-2,4,6-7H,3,5H2,(H,15,16,17).
What are the key properties of N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 273.28 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 72898770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).