6-(3-methylsulfonylthiomorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine

C10H13F3N4O2S2 — CID 106772411

IUPAC6-(3-methylsulfonylthiomorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCS(=O)(=O)C1CSCCN1c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O2S2/c1-21(18,19)8-5-20-3-2-17(8)7-4-6(14)15-9(16-7)10(11,12)13/h4,8H,2-3,5H2,1H3,(H2,14,15,16)
InChIKeyIZVFJESXOLHUAU-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.00
Rot. Bonds2

About 6-(3-methylsulfonylthiomorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine

6-(3-methylsulfonylthiomorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106772411) has the molecular formula C10H13F3N4O2S2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 6-(3-methylsulfonylthiomorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methylsulfonylthiomorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106772411
Molecular FormulaC10H13F3N4O2S2
Molecular Weight342.37 g/mol
Exact Mass342.04
IUPAC Name6-(3-methylsulfonylthiomorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCS(=O)(=O)C1CSCCN1c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N4O2S2/c1-21(18,19)8-5-20-3-2-17(8)7-4-6(14)15-9(16-7)10(11,12)13/h4,8H,2-3,5H2,1H3,(H2,14,15,16)
InChIKeyIZVFJESXOLHUAU-UHFFFAOYSA-N
XLogP1.00
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfonylthiomorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-methylsulfonylthiomorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106772411) is 6-(3-methylsulfonylthiomorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-methylsulfonylthiomorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-methylsulfonylthiomorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine is CS(=O)(=O)C1CSCCN1c1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(3-methylsulfonylthiomorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IZVFJESXOLHUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2S2/c1-21(18,19)8-5-20-3-2-17(8)7-4-6(14)15-9(16-7)10(11,12)13/h4,8H,2-3,5H2,1H3,(H2,14,15,16).
What are the key properties of 6-(3-methylsulfonylthiomorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(3-methylsulfonylthiomorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 342.37 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfonylthiomorpholin-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106772411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).