2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine

C17H17F6N5 — CID 133318458

IUPAC2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)CN1CCC(CNc2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1
InChIInChI=1S/C17H17F6N5/c18-16(19,20)10-28-6-3-11(9-28)8-25-14-7-13(17(21,22)23)26-15(27-14)12-1-4-24-5-2-12/h1-2,4-5,7,11H,3,6,8-10H2,(H,25,26,27)
InChIKeyRECDKCQCIHXYDC-UHFFFAOYSA-N
MW405.35 g/mol
LogP3.85
Rot. Bonds5

About 2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine

2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133318458) has the molecular formula C17H17F6N5 and a molecular weight of 405.35 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133318458
Molecular FormulaC17H17F6N5
Molecular Weight405.35 g/mol
Exact Mass405.14
IUPAC Name2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)CN1CCC(CNc2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1
InChIInChI=1S/C17H17F6N5/c18-16(19,20)10-28-6-3-11(9-28)8-25-14-7-13(17(21,22)23)26-15(27-14)12-1-4-24-5-2-12/h1-2,4-5,7,11H,3,6,8-10H2,(H,25,26,27)
InChIKeyRECDKCQCIHXYDC-UHFFFAOYSA-N
XLogP3.85
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-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 2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 133318458) is 2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)CN1CCC(CNc2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1.
What is the InChIKey of 2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RECDKCQCIHXYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F6N5/c18-16(19,20)10-28-6-3-11(9-28)8-25-14-7-13(17(21,22)23)26-15(27-14)12-1-4-24-5-2-12/h1-2,4-5,7,11H,3,6,8-10H2,(H,25,26,27).
What are the key properties of 2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 405.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133318458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).