[4-(trifluoromethylsulfonyl)pyrimidin-2-yl]methanamine

C6H6F3N3O2S — CID 67058697

IUPAC[4-(trifluoromethylsulfonyl)pyrimidin-2-yl]methanamine
SMILESNCc1nccc(S(=O)(=O)C(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O2S/c7-6(8,9)15(13,14)5-1-2-11-4(3-10)12-5/h1-2H,3,10H2
InChIKeyAEBDTUQNJHUVSJ-UHFFFAOYSA-N
MW241.19 g/mol
LogP0.23
Rot. Bonds2

About [4-(trifluoromethylsulfonyl)pyrimidin-2-yl]methanamine

[4-(trifluoromethylsulfonyl)pyrimidin-2-yl]methanamine (PubChem CID 67058697) has the molecular formula C6H6F3N3O2S and a molecular weight of 241.19 g/mol. Its IUPAC name is [4-(trifluoromethylsulfonyl)pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(trifluoromethylsulfonyl)pyrimidin-2-yl]methanamine
PubChem CID67058697
Molecular FormulaC6H6F3N3O2S
Molecular Weight241.19 g/mol
Exact Mass241.01
IUPAC Name[4-(trifluoromethylsulfonyl)pyrimidin-2-yl]methanamine
SMILESNCc1nccc(S(=O)(=O)C(F)(F)F)n1
InChIInChI=1S/C6H6F3N3O2S/c7-6(8,9)15(13,14)5-1-2-11-4(3-10)12-5/h1-2H,3,10H2
InChIKeyAEBDTUQNJHUVSJ-UHFFFAOYSA-N
XLogP0.23
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(trifluoromethylsulfonyl)pyrimidin-2-yl]methanamine 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 [4-(trifluoromethylsulfonyl)pyrimidin-2-yl]methanamine?
The IUPAC name of [4-(trifluoromethylsulfonyl)pyrimidin-2-yl]methanamine (CID 67058697) is [4-(trifluoromethylsulfonyl)pyrimidin-2-yl]methanamine.
What is the SMILES notation for [4-(trifluoromethylsulfonyl)pyrimidin-2-yl]methanamine?
The canonical SMILES for [4-(trifluoromethylsulfonyl)pyrimidin-2-yl]methanamine is NCc1nccc(S(=O)(=O)C(F)(F)F)n1.
What is the InChIKey of [4-(trifluoromethylsulfonyl)pyrimidin-2-yl]methanamine?
The InChIKey is AEBDTUQNJHUVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O2S/c7-6(8,9)15(13,14)5-1-2-11-4(3-10)12-5/h1-2H,3,10H2.
What are the key properties of [4-(trifluoromethylsulfonyl)pyrimidin-2-yl]methanamine?
[4-(trifluoromethylsulfonyl)pyrimidin-2-yl]methanamine has a molecular weight of 241.19 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethylsulfonyl)pyrimidin-2-yl]methanamine is sourced from PubChem (CID 67058697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).