6-chloro-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidin-4-amine

C8H9ClF3N3OS — CID 106768346

IUPAC6-chloro-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCS(=O)CCNc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C8H9ClF3N3OS/c1-17(16)3-2-13-6-4-5(9)14-7(15-6)8(10,11)12/h4H,2-3H2,1H3,(H,13,14,15)
InChIKeyCAUQRODVEJOANN-UHFFFAOYSA-N
MW287.69 g/mol
LogP1.94
Rot. Bonds4

About 6-chloro-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106768346) has the molecular formula C8H9ClF3N3OS and a molecular weight of 287.69 g/mol. Its IUPAC name is 6-chloro-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106768346
Molecular FormulaC8H9ClF3N3OS
Molecular Weight287.69 g/mol
Exact Mass287.01
IUPAC Name6-chloro-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCS(=O)CCNc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C8H9ClF3N3OS/c1-17(16)3-2-13-6-4-5(9)14-7(15-6)8(10,11)12/h4H,2-3H2,1H3,(H,13,14,15)
InChIKeyCAUQRODVEJOANN-UHFFFAOYSA-N
XLogP1.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.69
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106768346) is 6-chloro-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidin-4-amine is CS(=O)CCNc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is CAUQRODVEJOANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3OS/c1-17(16)3-2-13-6-4-5(9)14-7(15-6)8(10,11)12/h4H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 6-chloro-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 287.69 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106768346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).