2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-methylacetamide

C8H9F3N4OS — CID 114232312

IUPAC2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N4OS/c1-13-5(16)3-17-6-2-4(12)14-7(15-6)8(9,10)11/h2H,3H2,1H3,(H,13,16)(H2,12,14,15)
InChIKeyVMPJASLNXLKPDP-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.92
Rot. Bonds3

About 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-methylacetamide

2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-methylacetamide (PubChem CID 114232312) has the molecular formula C8H9F3N4OS and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-methylacetamide
PubChem CID114232312
Molecular FormulaC8H9F3N4OS
Molecular Weight266.25 g/mol
Exact Mass266.04
IUPAC Name2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N4OS/c1-13-5(16)3-17-6-2-4(12)14-7(15-6)8(9,10)11/h2H,3H2,1H3,(H,13,16)(H2,12,14,15)
InChIKeyVMPJASLNXLKPDP-UHFFFAOYSA-N
XLogP0.92
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-methylacetamide 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-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-methylacetamide?
The IUPAC name of 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-methylacetamide (CID 114232312) is 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-methylacetamide?
The canonical SMILES for 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-methylacetamide is CNC(=O)CSc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-methylacetamide?
The InChIKey is VMPJASLNXLKPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4OS/c1-13-5(16)3-17-6-2-4(12)14-7(15-6)8(9,10)11/h2H,3H2,1H3,(H,13,16)(H2,12,14,15).
What are the key properties of 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-methylacetamide?
2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-methylacetamide has a molecular weight of 266.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 114232312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).