1-(2-methylsulfonylpyrimidin-4-yl)ethanamine

C7H11N3O2S — CID 84670120

IUPAC1-(2-methylsulfonylpyrimidin-4-yl)ethanamine
SMILESCC(N)c1ccnc(S(C)(=O)=O)n1
InChIInChI=1S/C7H11N3O2S/c1-5(8)6-3-4-9-7(10-6)13(2,11)12/h3-5H,8H2,1-2H3
InChIKeyZRNDYAXUTXFBHE-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.10
Rot. Bonds2

About 1-(2-methylsulfonylpyrimidin-4-yl)ethanamine

1-(2-methylsulfonylpyrimidin-4-yl)ethanamine (PubChem CID 84670120) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 1-(2-methylsulfonylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methylsulfonylpyrimidin-4-yl)ethanamine
PubChem CID84670120
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name1-(2-methylsulfonylpyrimidin-4-yl)ethanamine
SMILESCC(N)c1ccnc(S(C)(=O)=O)n1
InChIInChI=1S/C7H11N3O2S/c1-5(8)6-3-4-9-7(10-6)13(2,11)12/h3-5H,8H2,1-2H3
InChIKeyZRNDYAXUTXFBHE-UHFFFAOYSA-N
XLogP-0.10
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylpyrimidin-4-yl)ethanamine?
The IUPAC name of 1-(2-methylsulfonylpyrimidin-4-yl)ethanamine (CID 84670120) is 1-(2-methylsulfonylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for 1-(2-methylsulfonylpyrimidin-4-yl)ethanamine?
The canonical SMILES for 1-(2-methylsulfonylpyrimidin-4-yl)ethanamine is CC(N)c1ccnc(S(C)(=O)=O)n1.
What is the InChIKey of 1-(2-methylsulfonylpyrimidin-4-yl)ethanamine?
The InChIKey is ZRNDYAXUTXFBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-5(8)6-3-4-9-7(10-6)13(2,11)12/h3-5H,8H2,1-2H3.
What are the key properties of 1-(2-methylsulfonylpyrimidin-4-yl)ethanamine?
1-(2-methylsulfonylpyrimidin-4-yl)ethanamine has a molecular weight of 201.25 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 84670120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).