3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine

C13H20ClN3S — CID 114123728

IUPAC3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine
SMILESCSC1CCCC(Nc2nc(C)c(C)nc2Cl)C1
InChIInChI=1S/C13H20ClN3S/c1-8-9(2)16-13(12(14)15-8)17-10-5-4-6-11(7-10)18-3/h10-11H,4-7H2,1-3H3,(H,16,17)
InChIKeyIDMZIGAHOWXFHH-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.83
Rot. Bonds3

About 3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine

3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine (PubChem CID 114123728) has the molecular formula C13H20ClN3S and a molecular weight of 285.84 g/mol. Its IUPAC name is 3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine
PubChem CID114123728
Molecular FormulaC13H20ClN3S
Molecular Weight285.84 g/mol
Exact Mass285.11
IUPAC Name3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine
SMILESCSC1CCCC(Nc2nc(C)c(C)nc2Cl)C1
InChIInChI=1S/C13H20ClN3S/c1-8-9(2)16-13(12(14)15-8)17-10-5-4-6-11(7-10)18-3/h10-11H,4-7H2,1-3H3,(H,16,17)
InChIKeyIDMZIGAHOWXFHH-UHFFFAOYSA-N
XLogP3.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine?
The IUPAC name of 3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine (CID 114123728) is 3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine.
What is the SMILES notation for 3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine?
The canonical SMILES for 3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine is CSC1CCCC(Nc2nc(C)c(C)nc2Cl)C1.
What is the InChIKey of 3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine?
The InChIKey is IDMZIGAHOWXFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3S/c1-8-9(2)16-13(12(14)15-8)17-10-5-4-6-11(7-10)18-3/h10-11H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine?
3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine has a molecular weight of 285.84 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6-dimethyl-N-(3-methylsulfanylcyclohexyl)pyrazin-2-amine is sourced from PubChem (CID 114123728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).