2-pyrazin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine

C15H19N3S — CID 64626826

IUPAC2-pyrazin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)CSc2cnccn2)c(C)c1
InChIInChI=1S/C15H19N3S/c1-10-6-11(2)15(12(3)7-10)13(16)9-19-14-8-17-4-5-18-14/h4-8,13H,9,16H2,1-3H3
InChIKeyURWBGPCPOKULKC-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.19
Rot. Bonds4

About 2-pyrazin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine

2-pyrazin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 64626826) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-pyrazin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-pyrazin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID64626826
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-pyrazin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)CSc2cnccn2)c(C)c1
InChIInChI=1S/C15H19N3S/c1-10-6-11(2)15(12(3)7-10)13(16)9-19-14-8-17-4-5-18-14/h4-8,13H,9,16H2,1-3H3
InChIKeyURWBGPCPOKULKC-UHFFFAOYSA-N
XLogP3.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64626405
1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine
CID 64628426
2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol
CID 66103301
ethyl 2-methyl-3-pyrazin-2-ylsulfanylpropanoate
CID 63381166
2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64622083
2-[2-(bromomethyl)-3,3-dimethylbutyl]sulfanylpyrazine
CID 65015924
N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
CID 64628229
N-[1-(4-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
CID 64626215
1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64648131
1-(4-aminophenyl)-2-pyrazin-2-ylsulfanylethanol
CID 55247740
2-butylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64609235
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545

Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-pyrazin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine (CID 64626826) is 2-pyrazin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-pyrazin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-pyrazin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(C(N)CSc2cnccn2)c(C)c1.
What is the InChIKey of 2-pyrazin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is URWBGPCPOKULKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10-6-11(2)15(12(3)7-10)13(16)9-19-14-8-17-4-5-18-14/h4-8,13H,9,16H2,1-3H3.
What are the key properties of 2-pyrazin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
2-pyrazin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-ylsulfanyl-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 64626826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).