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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Related Compounds

6-N-ethyl-2-N-(3-methylsulfanylcyclohexyl)pyrazine-2,6-diamine
CID 113237755
2-N-cyclooctyl-6-N-methylpyrazine-2,6-diamine
CID 80785345
N-[(1R,3R)-3-methylsulfanylcyclohexyl]pyrido[2,3-b]pyrazin-6-amine
CID 97214431
6-ethoxy-N-(3-methylsulfanylcyclohexyl)pyridin-2-amine
CID 114123738
6-N-ethyl-2-N-(3-methylcyclohexyl)pyrazine-2,6-diamine
CID 78918211
3-methyl-N-(3-methylsulfanylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 103703272
5-methyl-N-(3-methylsulfanylcyclopentyl)pyridin-2-amine
CID 103704113
3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine
CID 114123728
N-(3-methylsulfanylcyclohexyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 113237754
6-chloro-N-cyclobutylpyrazin-2-amine
CID 62415214
2-N-(3-ethylcyclohexyl)-6-N-propylpyrazine-2,6-diamine
CID 80840757
5-[(3-methylsulfanylcyclohexyl)amino]pyridine-2-carbonitrile
CID 91659454

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).