2-pyrrolidin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

C11H15F3N4 — CID 58228323

IUPAC2-pyrrolidin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNCC(c1cnc(C(F)(F)F)nc1)N1CCCC1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)10-16-6-8(7-17-10)9(5-15)18-3-1-2-4-18/h6-7,9H,1-5,15H2
InChIKeyPVBOMJLWXLYRAR-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.59
Rot. Bonds3

About 2-pyrrolidin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

2-pyrrolidin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (PubChem CID 58228323) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
PubChem CID58228323
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name2-pyrrolidin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNCC(c1cnc(C(F)(F)F)nc1)N1CCCC1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)10-16-6-8(7-17-10)9(5-15)18-3-1-2-4-18/h6-7,9H,1-5,15H2
InChIKeyPVBOMJLWXLYRAR-UHFFFAOYSA-N
XLogP1.59
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-pyrrolidin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (CID 58228323) is 2-pyrrolidin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-pyrrolidin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-pyrrolidin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is NCC(c1cnc(C(F)(F)F)nc1)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is PVBOMJLWXLYRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c12-11(13,14)10-16-6-8(7-17-10)9(5-15)18-3-1-2-4-18/h6-7,9H,1-5,15H2.
What are the key properties of 2-pyrrolidin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
2-pyrrolidin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 260.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 58228323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).