N-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrazin-2-amine

C13H22N4S — CID 114238693

IUPACN-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrazin-2-amine
SMILESCCNc1cncc(N2CCCC(SC)CC2)n1
InChIInChI=1S/C13H22N4S/c1-3-15-12-9-14-10-13(16-12)17-7-4-5-11(18-2)6-8-17/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyUKAZBUGTHPVYIH-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.63
Rot. Bonds4

About N-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrazin-2-amine

N-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrazin-2-amine (PubChem CID 114238693) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrazin-2-amine
PubChem CID114238693
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC NameN-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrazin-2-amine
SMILESCCNc1cncc(N2CCCC(SC)CC2)n1
InChIInChI=1S/C13H22N4S/c1-3-15-12-9-14-10-13(16-12)17-7-4-5-11(18-2)6-8-17/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyUKAZBUGTHPVYIH-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrazin-2-amine?
The IUPAC name of N-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrazin-2-amine (CID 114238693) is N-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrazin-2-amine.
What is the SMILES notation for N-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrazin-2-amine?
The canonical SMILES for N-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrazin-2-amine is CCNc1cncc(N2CCCC(SC)CC2)n1.
What is the InChIKey of N-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrazin-2-amine?
The InChIKey is UKAZBUGTHPVYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-3-15-12-9-14-10-13(16-12)17-7-4-5-11(18-2)6-8-17/h9-11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrazin-2-amine?
N-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrazin-2-amine has a molecular weight of 266.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrazin-2-amine is sourced from PubChem (CID 114238693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).