6-N-ethyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine

C13H22N4S — CID 113237755

IUPAC6-N-ethyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine
SMILESCCNc1cncc(NC2CCCC(SC)C2)n1
InChIInChI=1S/C13H22N4S/c1-3-15-12-8-14-9-13(17-12)16-10-5-4-6-11(7-10)18-2/h8-11H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyFGVWZFQILBQURE-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.99
Rot. Bonds5

About 6-N-ethyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine

6-N-ethyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine (PubChem CID 113237755) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 6-N-ethyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine
PubChem CID113237755
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name6-N-ethyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine
SMILESCCNc1cncc(NC2CCCC(SC)C2)n1
InChIInChI=1S/C13H22N4S/c1-3-15-12-8-14-9-13(17-12)16-10-5-4-6-11(7-10)18-2/h8-11H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyFGVWZFQILBQURE-UHFFFAOYSA-N
XLogP2.99
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine
CID 114123917
6-N-ethyl-2-N-(3-methylcyclohexyl)pyrazine-2,6-diamine
CID 78918211
6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine
CID 114124181
2-N-(3-ethylcyclohexyl)-6-N-propylpyrazine-2,6-diamine
CID 80840757
N-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrazin-2-amine
CID 114238693
6-ethoxy-N-(3-methylsulfanylcyclohexyl)pyridin-2-amine
CID 114123738
6-N-ethyl-2-N-(2-methylcyclohexyl)pyrazine-2,6-diamine
CID 78917909
2-N-ethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine
CID 80782760
2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-ethylpyrazine-2,6-diamine
CID 78997552
N-[(1R,3R)-3-methylsulfanylcyclohexyl]pyrido[2,3-b]pyrazin-6-amine
CID 97214431
4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826222
6-chloro-N-(3-methylsulfanylcyclohexyl)-5-propylpyrimidin-4-amine
CID 114123758

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-ethyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine (CID 113237755) is 6-N-ethyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine is CCNc1cncc(NC2CCCC(SC)C2)n1.
What is the InChIKey of 6-N-ethyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine?
The InChIKey is FGVWZFQILBQURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-3-15-12-8-14-9-13(17-12)16-10-5-4-6-11(7-10)18-2/h8-11H,3-7H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-N-ethyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine?
6-N-ethyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine has a molecular weight of 266.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine is sourced from PubChem (CID 113237755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).