2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine

C11H19N3OS — CID 62580093

IUPAC2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine
SMILESCCOCCNCCSc1nccc(C)n1
InChIInChI=1S/C11H19N3OS/c1-3-15-8-6-12-7-9-16-11-13-5-4-10(2)14-11/h4-5,12H,3,6-9H2,1-2H3
InChIKeyIPJIDBKLNBFDFC-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.50
Rot. Bonds8

About 2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine

2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine (PubChem CID 62580093) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine
PubChem CID62580093
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine
SMILESCCOCCNCCSc1nccc(C)n1
InChIInChI=1S/C11H19N3OS/c1-3-15-8-6-12-7-9-16-11-13-5-4-10(2)14-11/h4-5,12H,3,6-9H2,1-2H3
InChIKeyIPJIDBKLNBFDFC-UHFFFAOYSA-N
XLogP1.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.50
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-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine (CID 62580093) is 2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine is CCOCCNCCSc1nccc(C)n1.
What is the InChIKey of 2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine?
The InChIKey is IPJIDBKLNBFDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-15-8-6-12-7-9-16-11-13-5-4-10(2)14-11/h4-5,12H,3,6-9H2,1-2H3.
What are the key properties of 2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine?
2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine has a molecular weight of 241.36 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine is sourced from PubChem (CID 62580093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).