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

C14H25N3OS — CID 55092352

IUPAC2-butoxy-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]ethanamine
SMILESCCCCOCCNCCSc1nc(C)cc(C)n1
InChIInChI=1S/C14H25N3OS/c1-4-5-8-18-9-6-15-7-10-19-14-16-12(2)11-13(3)17-14/h11,15H,4-10H2,1-3H3
InChIKeyQXTZGHVSXJTAOX-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.59
Rot. Bonds10

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

2-butoxy-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]ethanamine (PubChem CID 55092352) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-butoxy-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]ethanamine
PubChem CID55092352
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-butoxy-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]ethanamine
SMILESCCCCOCCNCCSc1nc(C)cc(C)n1
InChIInChI=1S/C14H25N3OS/c1-4-5-8-18-9-6-15-7-10-19-14-16-12(2)11-13(3)17-14/h11,15H,4-10H2,1-3H3
InChIKeyQXTZGHVSXJTAOX-UHFFFAOYSA-N
XLogP2.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.59
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-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethyl]ethanamine
CID 65041027
2-butoxy-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]ethanamine
CID 55092656
N-(2-butoxyethyl)-4,6-dimethylpyrimidin-2-amine
CID 61175879
2-ethoxy-N-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]ethanamine
CID 62580093
2-butoxy-N-[2-(2,5-dichlorophenyl)sulfanylethyl]ethanamine
CID 63517902
N-(3-butoxypropyl)-2,6-dimethylpyridin-4-amine
CID 114272189
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]-4-ethoxybutan-1-amine
CID 102925949
2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine
CID 4204325
2-butoxy-N-(2-thiophen-2-ylsulfanylethyl)ethanamine
CID 62578159
2-butoxy-N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 103175707
2-butoxy-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
CID 62576536
N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]cyclopentanamine
CID 62580286

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]ethanamine?
The IUPAC name of 2-butoxy-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]ethanamine (CID 55092352) is 2-butoxy-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]ethanamine is CCCCOCCNCCSc1nc(C)cc(C)n1.
What is the InChIKey of 2-butoxy-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]ethanamine?
The InChIKey is QXTZGHVSXJTAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-4-5-8-18-9-6-15-7-10-19-14-16-12(2)11-13(3)17-14/h11,15H,4-10H2,1-3H3.
What are the key properties of 2-butoxy-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]ethanamine?
2-butoxy-N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]ethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.59, 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-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]ethanamine is sourced from PubChem (CID 55092352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).