2-butoxy-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine

C15H27N3OS — CID 65041027

IUPAC2-butoxy-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine
SMILESCCCCOCCNCCSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C15H27N3OS/c1-5-6-9-19-10-7-16-8-11-20-15-17-13(3)12(2)14(4)18-15/h16H,5-11H2,1-4H3
InChIKeyZLSDSQPSUPYPSK-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.90
Rot. Bonds10

About 2-butoxy-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine

2-butoxy-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine (PubChem CID 65041027) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 2-butoxy-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine
PubChem CID65041027
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name2-butoxy-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine
SMILESCCCCOCCNCCSc1nc(C)c(C)c(C)n1
InChIInChI=1S/C15H27N3OS/c1-5-6-9-19-10-7-16-8-11-20-15-17-13(3)12(2)14(4)18-15/h16H,5-11H2,1-4H3
InChIKeyZLSDSQPSUPYPSK-UHFFFAOYSA-N
XLogP2.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.90
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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Related Compounds

2-butoxy-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]ethanamine
CID 55092352
2-butoxy-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]ethanamine
CID 55092656
N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 65043117
4,5,6-trimethyl-2-propylsulfanylpyrimidine
CID 90393527
2-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethoxy]ethanamine
CID 103482711
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine
CID 62578159
2-butoxy-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine
CID 107757262
2-butoxy-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 64539322
2-butoxy-N-[2-(2-methylbutylsulfanyl)ethyl]ethanamine
CID 107757478
2-butoxy-N-[2-(2,5-dichlorophenyl)sulfanylethyl]ethanamine
CID 63517902
2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine
CID 114470898

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine?
The IUPAC name of 2-butoxy-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine (CID 65041027) is 2-butoxy-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine is CCCCOCCNCCSc1nc(C)c(C)c(C)n1.
What is the InChIKey of 2-butoxy-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine?
The InChIKey is ZLSDSQPSUPYPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-5-6-9-19-10-7-16-8-11-20-15-17-13(3)12(2)14(4)18-15/h16H,5-11H2,1-4H3.
What are the key properties of 2-butoxy-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine?
2-butoxy-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine has a molecular weight of 297.47 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine is sourced from PubChem (CID 65041027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).