6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine

C13H17F3N4 — CID 106771326

IUPAC6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(N2CC3CCC2C3)nc(C(F)(F)F)n1
InChIInChI=1S/C13H17F3N4/c1-2-17-10-6-11(19-12(18-10)13(14,15)16)20-7-8-3-4-9(20)5-8/h6,8-9H,2-5,7H2,1H3,(H,17,18,19)
InChIKeyHZKKTZXAEGPWHX-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.92
Rot. Bonds3

About 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106771326) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106771326
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(N2CC3CCC2C3)nc(C(F)(F)F)n1
InChIInChI=1S/C13H17F3N4/c1-2-17-10-6-11(19-12(18-10)13(14,15)16)20-7-8-3-4-9(20)5-8/h6,8-9H,2-5,7H2,1H3,(H,17,18,19)
InChIKeyHZKKTZXAEGPWHX-UHFFFAOYSA-N
XLogP2.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(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

Related Compounds

6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106771328
[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106775519
6-(2,4-dimethylpyrrolidin-1-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773251
N-ethyl-6-(3-propan-2-ylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772934
4-N-(2-cyclopropylethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772336
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-5-fluoropyrimidin-2-amine
CID 80804390
6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80987495
2-tert-butyl-6-(2,5-dimethylpiperidin-1-yl)-N-ethylpyrimidin-4-amine
CID 80959965
6-N-ethyl-4-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772042
4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80805119
4-N-(dicyclopropylmethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771247
1-[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106773424

Frequently Asked Questions

What is the IUPAC name of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106771326) is 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(N2CC3CCC2C3)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is HZKKTZXAEGPWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c1-2-17-10-6-11(19-12(18-10)13(14,15)16)20-7-8-3-4-9(20)5-8/h6,8-9H,2-5,7H2,1H3,(H,17,18,19).
What are the key properties of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 286.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-azabicyclo[2.2.1]heptan-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106771326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).