5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine

C13H22N4S — CID 103056506

IUPAC5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(CN2CC(C)SC(C)C2)cn1
InChIInChI=1S/C13H22N4S/c1-4-14-13-6-15-12(5-16-13)9-17-7-10(2)18-11(3)8-17/h5-6,10-11H,4,7-9H2,1-3H3,(H,14,16)
InChIKeyPTVJXNLMOKYEPA-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.23
Rot. Bonds4

About 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine

5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine (PubChem CID 103056506) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine
PubChem CID103056506
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(CN2CC(C)SC(C)C2)cn1
InChIInChI=1S/C13H22N4S/c1-4-14-13-6-15-12(5-16-13)9-17-7-10(2)18-11(3)8-17/h5-6,10-11H,4,7-9H2,1-3H3,(H,14,16)
InChIKeyPTVJXNLMOKYEPA-UHFFFAOYSA-N
XLogP2.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[5-(ethylamino)pyrazin-2-yl]methyl]-6-methylmorpholin-2-yl]methanol
CID 103056969
N-ethyl-5-(piperidin-1-ylmethyl)pyrazin-2-amine
CID 103055450
5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine
CID 103056836
5-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylpyrazin-2-amine
CID 103055473
N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine
CID 103056905
2-[[5-(ethylamino)pyrazin-2-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103056765
2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol
CID 103056925
N-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine
CID 103056396
N-ethyl-5-[(2-methylpyrrolidin-1-yl)methyl]pyrazin-2-amine
CID 103055350
N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine
CID 103056326
methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate
CID 103056712
7-[[5-(ethylamino)pyrazin-2-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 103056617

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine?
The IUPAC name of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine (CID 103056506) is 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine.
What is the SMILES notation for 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine?
The canonical SMILES for 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine is CCNc1cnc(CN2CC(C)SC(C)C2)cn1.
What is the InChIKey of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine?
The InChIKey is PTVJXNLMOKYEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-4-14-13-6-15-12(5-16-13)9-17-7-10(2)18-11(3)8-17/h5-6,10-11H,4,7-9H2,1-3H3,(H,14,16).
What are the key properties of 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine?
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine has a molecular weight of 266.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine is sourced from PubChem (CID 103056506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).