3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrazin-2-amine

C8H12ClN3S — CID 112663084

IUPAC3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrazin-2-amine
SMILESCSCCN(C)c1nccnc1Cl
InChIInChI=1S/C8H12ClN3S/c1-12(5-6-13-2)8-7(9)10-3-4-11-8/h3-4H,5-6H2,1-2H3
InChIKeyRZBPCIWPRDZZST-UHFFFAOYSA-N
MW217.73 g/mol
LogP1.93
Rot. Bonds4

About 3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrazin-2-amine

3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrazin-2-amine (PubChem CID 112663084) has the molecular formula C8H12ClN3S and a molecular weight of 217.73 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrazin-2-amine
PubChem CID112663084
Molecular FormulaC8H12ClN3S
Molecular Weight217.73 g/mol
Exact Mass217.04
IUPAC Name3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrazin-2-amine
SMILESCSCCN(C)c1nccnc1Cl
InChIInChI=1S/C8H12ClN3S/c1-12(5-6-13-2)8-7(9)10-3-4-11-8/h3-4H,5-6H2,1-2H3
InChIKeyRZBPCIWPRDZZST-UHFFFAOYSA-N
XLogP1.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.73
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine
CID 112661826
6-chloro-N-methyl-N-(2-methylsulfanylethyl)-5-propan-2-ylpyrimidin-4-amine
CID 112663088
6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine
CID 112698439
3-[methyl(2-methylsulfanylethyl)amino]pyrazine-2-carboximidamide
CID 112660138
5-bromo-2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine
CID 112663042
5-(aminomethyl)-3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112665201
5-chloro-2-N,4-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667666
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 105390306
4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine
CID 112663047
2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 112698550
ethyl 3-amino-2-[methyl(2-methylsulfanylethyl)amino]pyridine-4-carboxylate
CID 112663485
5-(bromomethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 107084972

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrazin-2-amine?
The IUPAC name of 3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrazin-2-amine (CID 112663084) is 3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrazin-2-amine is CSCCN(C)c1nccnc1Cl.
What is the InChIKey of 3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrazin-2-amine?
The InChIKey is RZBPCIWPRDZZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3S/c1-12(5-6-13-2)8-7(9)10-3-4-11-8/h3-4H,5-6H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrazin-2-amine?
3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrazin-2-amine has a molecular weight of 217.73 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(2-methylsulfanylethyl)pyrazin-2-amine is sourced from PubChem (CID 112663084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).