2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]ethanamine

C11H19N3OS — CID 103482711

IUPAC2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]ethanamine
SMILESCc1nc(SCCOCCN)nc(C)c1C
InChIInChI=1S/C11H19N3OS/c1-8-9(2)13-11(14-10(8)3)16-7-6-15-5-4-12/h4-7,12H2,1-3H3
InChIKeyYIZCSIZIUNVZHZ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.47
Rot. Bonds6

About 2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]ethanamine

2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]ethanamine (PubChem CID 103482711) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]ethanamine
PubChem CID103482711
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]ethanamine
SMILESCc1nc(SCCOCCN)nc(C)c1C
InChIInChI=1S/C11H19N3OS/c1-8-9(2)13-11(14-10(8)3)16-7-6-15-5-4-12/h4-7,12H2,1-3H3
InChIKeyYIZCSIZIUNVZHZ-UHFFFAOYSA-N
XLogP1.47
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]ethanamine?
The IUPAC name of 2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]ethanamine (CID 103482711) is 2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]ethanamine.
What is the SMILES notation for 2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]ethanamine?
The canonical SMILES for 2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]ethanamine is Cc1nc(SCCOCCN)nc(C)c1C.
What is the InChIKey of 2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]ethanamine?
The InChIKey is YIZCSIZIUNVZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-9(2)13-11(14-10(8)3)16-7-6-15-5-4-12/h4-7,12H2,1-3H3.
What are the key properties of 2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]ethanamine?
2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]ethanamine has a molecular weight of 241.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]ethanamine is sourced from PubChem (CID 103482711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).