2-(2-ethyl-6-methylsulfonylpyrimidin-4-yl)ethanamine

C9H15N3O2S — CID 83852544

IUPAC2-(2-ethyl-6-methylsulfonylpyrimidin-4-yl)ethanamine
SMILESCCc1nc(CCN)cc(S(C)(=O)=O)n1
InChIInChI=1S/C9H15N3O2S/c1-3-8-11-7(4-5-10)6-9(12-8)15(2,13)14/h6H,3-5,10H2,1-2H3
InChIKeyYCQVTJCTSPSZPZ-UHFFFAOYSA-N
MW229.30 g/mol
LogP-0.06
Rot. Bonds4

About 2-(2-ethyl-6-methylsulfonylpyrimidin-4-yl)ethanamine

2-(2-ethyl-6-methylsulfonylpyrimidin-4-yl)ethanamine (PubChem CID 83852544) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylsulfonylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-ethyl-6-methylsulfonylpyrimidin-4-yl)ethanamine
PubChem CID83852544
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-(2-ethyl-6-methylsulfonylpyrimidin-4-yl)ethanamine
SMILESCCc1nc(CCN)cc(S(C)(=O)=O)n1
InChIInChI=1S/C9H15N3O2S/c1-3-8-11-7(4-5-10)6-9(12-8)15(2,13)14/h6H,3-5,10H2,1-2H3
InChIKeyYCQVTJCTSPSZPZ-UHFFFAOYSA-N
XLogP-0.06
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylsulfonylpyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(2-ethyl-6-methylsulfonylpyrimidin-4-yl)ethanamine (CID 83852544) is 2-(2-ethyl-6-methylsulfonylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(2-ethyl-6-methylsulfonylpyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(2-ethyl-6-methylsulfonylpyrimidin-4-yl)ethanamine is CCc1nc(CCN)cc(S(C)(=O)=O)n1.
What is the InChIKey of 2-(2-ethyl-6-methylsulfonylpyrimidin-4-yl)ethanamine?
The InChIKey is YCQVTJCTSPSZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-3-8-11-7(4-5-10)6-9(12-8)15(2,13)14/h6H,3-5,10H2,1-2H3.
What are the key properties of 2-(2-ethyl-6-methylsulfonylpyrimidin-4-yl)ethanamine?
2-(2-ethyl-6-methylsulfonylpyrimidin-4-yl)ethanamine has a molecular weight of 229.30 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methylsulfonylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 83852544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).