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

C12H20N4S — CID 114123917

IUPAC6-N-methyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine
SMILESCNc1cncc(NC2CCCC(SC)C2)n1
InChIInChI=1S/C12H20N4S/c1-13-11-7-14-8-12(16-11)15-9-4-3-5-10(6-9)17-2/h7-10H,3-6H2,1-2H3,(H2,13,15,16)
InChIKeyLGIBOYRSMKPTOI-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.60
Rot. Bonds4

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

6-N-methyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine (PubChem CID 114123917) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 6-N-methyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine
PubChem CID114123917
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name6-N-methyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine
SMILESCNc1cncc(NC2CCCC(SC)C2)n1
InChIInChI=1S/C12H20N4S/c1-13-11-7-14-8-12(16-11)15-9-4-3-5-10(6-9)17-2/h7-10H,3-6H2,1-2H3,(H2,13,15,16)
InChIKeyLGIBOYRSMKPTOI-UHFFFAOYSA-N
XLogP2.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-methyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine (CID 114123917) is 6-N-methyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-methyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine is CNc1cncc(NC2CCCC(SC)C2)n1.
What is the InChIKey of 6-N-methyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine?
The InChIKey is LGIBOYRSMKPTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-13-11-7-14-8-12(16-11)15-9-4-3-5-10(6-9)17-2/h7-10H,3-6H2,1-2H3,(H2,13,15,16).
What are the key properties of 6-N-methyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine?
6-N-methyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine has a molecular weight of 252.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine is sourced from PubChem (CID 114123917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).