N-(2-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-2-amine

C8H10F3N3O2S — CID 61036437

IUPACN-(2-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)CCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O2S/c1-17(15,16)5-4-13-7-12-3-2-6(14-7)8(9,10)11/h2-3H,4-5H2,1H3,(H,12,13,14)
InChIKeyRWKUQMWGTTZHRB-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.95
Rot. Bonds4

About N-(2-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(2-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 61036437) has the molecular formula C8H10F3N3O2S and a molecular weight of 269.25 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID61036437
Molecular FormulaC8H10F3N3O2S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC NameN-(2-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCS(=O)(=O)CCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O2S/c1-17(15,16)5-4-13-7-12-3-2-6(14-7)8(9,10)11/h2-3H,4-5H2,1H3,(H,12,13,14)
InChIKeyRWKUQMWGTTZHRB-UHFFFAOYSA-N
XLogP0.95
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 61036437) is N-(2-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-2-amine is CS(=O)(=O)CCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RWKUQMWGTTZHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S/c1-17(15,16)5-4-13-7-12-3-2-6(14-7)8(9,10)11/h2-3H,4-5H2,1H3,(H,12,13,14).
What are the key properties of N-(2-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(2-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 269.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 61036437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).