6-(1-oxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C9H11F3N4OS — CID 106771325

IUPAC6-(1-oxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(N2CCS(=O)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4OS/c10-9(11,12)8-14-6(13)5-7(15-8)16-1-3-18(17)4-2-16/h5H,1-4H2,(H2,13,14,15)
InChIKeyILGYKXXUZJVUML-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.65
Rot. Bonds1

About 6-(1-oxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine

6-(1-oxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106771325) has the molecular formula C9H11F3N4OS and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-(1-oxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-oxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106771325
Molecular FormulaC9H11F3N4OS
Molecular Weight280.28 g/mol
Exact Mass280.06
IUPAC Name6-(1-oxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(N2CCS(=O)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4OS/c10-9(11,12)8-14-6(13)5-7(15-8)16-1-3-18(17)4-2-16/h5H,1-4H2,(H2,13,14,15)
InChIKeyILGYKXXUZJVUML-UHFFFAOYSA-N
XLogP0.65
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1-oxo-1,4-thiazinan-4-yl)-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

Frequently Asked Questions

What is the IUPAC name of 6-(1-oxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1-oxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106771325) is 6-(1-oxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1-oxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1-oxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine is Nc1cc(N2CCS(=O)CC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(1-oxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ILGYKXXUZJVUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4OS/c10-9(11,12)8-14-6(13)5-7(15-8)16-1-3-18(17)4-2-16/h5H,1-4H2,(H2,13,14,15).
What are the key properties of 6-(1-oxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(1-oxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 280.28 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-oxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106771325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).