6-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyrazin-2-amine

C12H14ClN3S — CID 79486046

IUPAC6-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyrazin-2-amine
SMILESCN(CCc1cccs1)c1cncc(CCl)n1
InChIInChI=1S/C12H14ClN3S/c1-16(5-4-11-3-2-6-17-11)12-9-14-8-10(7-13)15-12/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyOJOXIJNQHQMEBQ-UHFFFAOYSA-N
MW267.79 g/mol
LogP2.96
Rot. Bonds5

About 6-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyrazin-2-amine

6-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyrazin-2-amine (PubChem CID 79486046) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is 6-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyrazin-2-amine
PubChem CID79486046
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name6-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyrazin-2-amine
SMILESCN(CCc1cccs1)c1cncc(CCl)n1
InChIInChI=1S/C12H14ClN3S/c1-16(5-4-11-3-2-6-17-11)12-9-14-8-10(7-13)15-12/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyOJOXIJNQHQMEBQ-UHFFFAOYSA-N
XLogP2.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79486566
6-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 66468007
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470640
6-N-methyl-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine
CID 80652044
6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66465731
6-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazin-2-amine
CID 66457006
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66465732
6-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyrazin-2-amine
CID 66467781
N-[(3-bromophenyl)methyl]-6-(chloromethyl)-N-methylpyrazin-2-amine
CID 66465956
2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 79475919
2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79494134
5-chloro-N-methyl-4-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 114926750

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyrazin-2-amine?
The IUPAC name of 6-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyrazin-2-amine (CID 79486046) is 6-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyrazin-2-amine.
What is the SMILES notation for 6-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyrazin-2-amine?
The canonical SMILES for 6-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyrazin-2-amine is CN(CCc1cccs1)c1cncc(CCl)n1.
What is the InChIKey of 6-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyrazin-2-amine?
The InChIKey is OJOXIJNQHQMEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-16(5-4-11-3-2-6-17-11)12-9-14-8-10(7-13)15-12/h2-3,6,8-9H,4-5,7H2,1H3.
What are the key properties of 6-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyrazin-2-amine?
6-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyrazin-2-amine has a molecular weight of 267.79 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyrazin-2-amine is sourced from PubChem (CID 79486046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).