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

C10H13F3N4O2S — CID 102887762

IUPAC4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1CS(=O)(=O)CCN1c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C10H13F3N4O2S/c1-6-5-20(18,19)3-2-17(6)8-4-7(10(11,12)13)15-9(14)16-8/h4,6H,2-3,5H2,1H3,(H2,14,15,16)
InChIKeyWVPOYHMLTUKEQW-UHFFFAOYSA-N
MW310.30 g/mol
LogP0.70
Rot. Bonds1

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

4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 102887762) has the molecular formula C10H13F3N4O2S and a molecular weight of 310.30 g/mol. Its IUPAC name is 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID102887762
Molecular FormulaC10H13F3N4O2S
Molecular Weight310.30 g/mol
Exact Mass310.07
IUPAC Name4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1CS(=O)(=O)CCN1c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C10H13F3N4O2S/c1-6-5-20(18,19)3-2-17(6)8-4-7(10(11,12)13)15-9(14)16-8/h4,6H,2-3,5H2,1H3,(H2,14,15,16)
InChIKeyWVPOYHMLTUKEQW-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 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Related Compounds

6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773359
4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564180
[6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102887939
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinazolin-2-amine
CID 102887639
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-(trifluoromethyl)aniline
CID 102882511
3,5-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridin-2-amine
CID 114074771
4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885503
2,4-difluoro-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
CID 102882483
4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563976
4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564188
1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 114564561
4-(3-ethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564205

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 102887762) is 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine is CC1CS(=O)(=O)CCN1c1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WVPOYHMLTUKEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2S/c1-6-5-20(18,19)3-2-17(6)8-4-7(10(11,12)13)15-9(14)16-8/h4,6H,2-3,5H2,1H3,(H2,14,15,16).
What are the key properties of 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-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 4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 102887762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).