6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C10H13F3N4O2S — CID 106773359

IUPAC6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1CS(=O)(=O)CCN1c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O2S/c1-6-5-20(18,19)3-2-17(6)8-4-7(14)15-9(16-8)10(11,12)13/h4,6H,2-3,5H2,1H3,(H2,14,15,16)
InChIKeyMYCUVIJFMPLFOT-UHFFFAOYSA-N
MW310.30 g/mol
LogP0.70
Rot. Bonds1

About 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine

6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773359) has the molecular formula C10H13F3N4O2S and a molecular weight of 310.30 g/mol. Its IUPAC name is 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773359
Molecular FormulaC10H13F3N4O2S
Molecular Weight310.30 g/mol
Exact Mass310.07
IUPAC Name6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1CS(=O)(=O)CCN1c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O2S/c1-6-5-20(18,19)3-2-17(6)8-4-7(14)15-9(16-8)10(11,12)13/h4,6H,2-3,5H2,1H3,(H2,14,15,16)
InChIKeyMYCUVIJFMPLFOT-UHFFFAOYSA-N
XLogP0.70
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-methyl-1,1-dioxo-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

Related Compounds

4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 102887762
[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102887939
3,5-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-amine
CID 114074771
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-(trifluoromethyl)aniline
CID 102882511
4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885503
6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773226
5-amino-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-4-carboxamide
CID 114090699
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772695
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinazolin-2-amine
CID 102887639
2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80967534
3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
CID 102885437

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773359) is 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine is CC1CS(=O)(=O)CCN1c1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is MYCUVIJFMPLFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2S/c1-6-5-20(18,19)3-2-17(6)8-4-7(14)15-9(16-8)10(11,12)13/h4,6H,2-3,5H2,1H3,(H2,14,15,16).
What are the key properties of 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 310.30 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).