6-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine

C15H28N4S — CID 115987694

IUPAC6-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine
SMILESCCC(CSC)N(C)c1cncc(CNC(C)(C)C)n1
InChIInChI=1S/C15H28N4S/c1-7-13(11-20-6)19(5)14-10-16-8-12(18-14)9-17-15(2,3)4/h8,10,13,17H,7,9,11H2,1-6H3
InChIKeyRMGWWQLRKYMZNO-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.94
Rot. Bonds7

About 6-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine

6-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine (PubChem CID 115987694) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is 6-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine
PubChem CID115987694
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC Name6-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine
SMILESCCC(CSC)N(C)c1cncc(CNC(C)(C)C)n1
InChIInChI=1S/C15H28N4S/c1-7-13(11-20-6)19(5)14-10-16-8-12(18-14)9-17-15(2,3)4/h8,10,13,17H,7,9,11H2,1-6H3
InChIKeyRMGWWQLRKYMZNO-UHFFFAOYSA-N
XLogP2.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine?
The IUPAC name of 6-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine (CID 115987694) is 6-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine.
What is the SMILES notation for 6-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine?
The canonical SMILES for 6-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine is CCC(CSC)N(C)c1cncc(CNC(C)(C)C)n1.
What is the InChIKey of 6-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine?
The InChIKey is RMGWWQLRKYMZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-7-13(11-20-6)19(5)14-10-16-8-12(18-14)9-17-15(2,3)4/h8,10,13,17H,7,9,11H2,1-6H3.
What are the key properties of 6-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine?
6-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine has a molecular weight of 296.48 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine is sourced from PubChem (CID 115987694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).