6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine

C11H15F3N4O2S — CID 106770876

IUPAC6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCS(=O)(=O)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O2S/c1-2-15-8-7-9(17-10(16-8)11(12,13)14)18-3-5-21(19,20)6-4-18/h7H,2-6H2,1H3,(H,15,16,17)
InChIKeyIMVOGFLOVUFQKM-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.16
Rot. Bonds3

About 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106770876) has the molecular formula C11H15F3N4O2S and a molecular weight of 324.33 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106770876
Molecular FormulaC11H15F3N4O2S
Molecular Weight324.33 g/mol
Exact Mass324.09
IUPAC Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCNc1cc(N2CCS(=O)(=O)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O2S/c1-2-15-8-7-9(17-10(16-8)11(12,13)14)18-3-5-21(19,20)6-4-18/h7H,2-6H2,1H3,(H,15,16,17)
InChIKeyIMVOGFLOVUFQKM-UHFFFAOYSA-N
XLogP1.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106770876) is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is CCNc1cc(N2CCS(=O)(=O)CC2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IMVOGFLOVUFQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2S/c1-2-15-8-7-9(17-10(16-8)11(12,13)14)18-3-5-21(19,20)6-4-18/h7H,2-6H2,1H3,(H,15,16,17).
What are the key properties of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 324.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106770876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).