2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol

C7H11N3OS — CID 131159984

IUPAC2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol
SMILESCSc1cncc(NCCO)n1
InChIInChI=1S/C7H11N3OS/c1-12-7-5-8-4-6(10-7)9-2-3-11/h4-5,11H,2-3H2,1H3,(H,9,10)
InChIKeyMXWAKTLWAKGNQI-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.60
Rot. Bonds4

About 2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol

2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol (PubChem CID 131159984) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol
PubChem CID131159984
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol
SMILESCSc1cncc(NCCO)n1
InChIInChI=1S/C7H11N3OS/c1-12-7-5-8-4-6(10-7)9-2-3-11/h4-5,11H,2-3H2,1H3,(H,9,10)
InChIKeyMXWAKTLWAKGNQI-UHFFFAOYSA-N
XLogP0.60
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-methylfuran-2-yl)ethyl]-6-methylsulfanylpyrazin-2-amine
CID 166220070
3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
CID 80890920
3-[6-(propylamino)pyrazin-2-yl]sulfanylbutan-1-ol
CID 80890486
N-methyl-4-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]benzamide
CID 75509675
2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
CID 80890913
2-[[(6-methylsulfanylpyrazin-2-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133475917
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine
CID 115384424
2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol
CID 80765964
(2S)-4-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]pentanoic acid
CID 122050109
[1-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]cyclopentyl]methanol
CID 86796704
(2R)-3-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]butanoic acid
CID 122050754
N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine
CID 80890961

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol?
The IUPAC name of 2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol (CID 131159984) is 2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol?
The canonical SMILES for 2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol is CSc1cncc(NCCO)n1.
What is the InChIKey of 2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol?
The InChIKey is MXWAKTLWAKGNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-12-7-5-8-4-6(10-7)9-2-3-11/h4-5,11H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol?
2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol has a molecular weight of 185.25 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol is sourced from PubChem (CID 131159984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).