3-[2-(trifluoromethyl)pyrimidin-4-yl]bicyclo[1.1.1]pentan-1-amine

C10H10F3N3 — CID 142474674

IUPAC3-[2-(trifluoromethyl)pyrimidin-4-yl]bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(c3ccnc(C(F)(F)F)n3)(C1)C2
InChIInChI=1S/C10H10F3N3/c11-10(12,13)7-15-2-1-6(16-7)8-3-9(14,4-8)5-8/h1-2H,3-5,14H2
InChIKeyHOPNRXBNHFUJJG-UHFFFAOYSA-N
MW229.20 g/mol
LogP1.63
Rot. Bonds1

About 3-[2-(trifluoromethyl)pyrimidin-4-yl]bicyclo[1.1.1]pentan-1-amine

3-[2-(trifluoromethyl)pyrimidin-4-yl]bicyclo[1.1.1]pentan-1-amine (PubChem CID 142474674) has the molecular formula C10H10F3N3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)pyrimidin-4-yl]bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)pyrimidin-4-yl]bicyclo[1.1.1]pentan-1-amine
PubChem CID142474674
Molecular FormulaC10H10F3N3
Molecular Weight229.20 g/mol
Exact Mass229.08
IUPAC Name3-[2-(trifluoromethyl)pyrimidin-4-yl]bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(c3ccnc(C(F)(F)F)n3)(C1)C2
InChIInChI=1S/C10H10F3N3/c11-10(12,13)7-15-2-1-6(16-7)8-3-9(14,4-8)5-8/h1-2H,3-5,14H2
InChIKeyHOPNRXBNHFUJJG-UHFFFAOYSA-N
XLogP1.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(trifluoromethyl)pyrimidin-4-yl]bicyclo[1.1.1]pentan-1-amine 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 3-[2-(trifluoromethyl)pyrimidin-4-yl]bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of 3-[2-(trifluoromethyl)pyrimidin-4-yl]bicyclo[1.1.1]pentan-1-amine (CID 142474674) is 3-[2-(trifluoromethyl)pyrimidin-4-yl]bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for 3-[2-(trifluoromethyl)pyrimidin-4-yl]bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for 3-[2-(trifluoromethyl)pyrimidin-4-yl]bicyclo[1.1.1]pentan-1-amine is NC12CC(c3ccnc(C(F)(F)F)n3)(C1)C2.
What is the InChIKey of 3-[2-(trifluoromethyl)pyrimidin-4-yl]bicyclo[1.1.1]pentan-1-amine?
The InChIKey is HOPNRXBNHFUJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c11-10(12,13)7-15-2-1-6(16-7)8-3-9(14,4-8)5-8/h1-2H,3-5,14H2.
What are the key properties of 3-[2-(trifluoromethyl)pyrimidin-4-yl]bicyclo[1.1.1]pentan-1-amine?
3-[2-(trifluoromethyl)pyrimidin-4-yl]bicyclo[1.1.1]pentan-1-amine has a molecular weight of 229.20 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)pyrimidin-4-yl]bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 142474674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).