6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine

C13H13Cl2N3 — CID 66465732

IUPAC6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine
SMILESCN(Cc1ccccc1Cl)c1cncc(CCl)n1
InChIInChI=1S/C13H13Cl2N3/c1-18(9-10-4-2-3-5-12(10)15)13-8-16-7-11(6-14)17-13/h2-5,7-8H,6,9H2,1H3
InChIKeyHJJZSCVSFVOQHY-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.51
Rot. Bonds4

About 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine

6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine (PubChem CID 66465732) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine
PubChem CID66465732
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine
SMILESCN(Cc1ccccc1Cl)c1cncc(CCl)n1
InChIInChI=1S/C13H13Cl2N3/c1-18(9-10-4-2-3-5-12(10)15)13-8-16-7-11(6-14)17-13/h2-5,7-8H,6,9H2,1H3
InChIKeyHJJZSCVSFVOQHY-UHFFFAOYSA-N
XLogP3.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 66450287
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62255692
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridazin-3-amine
CID 61417484
6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66465731
6-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyrazin-2-amine
CID 66467781
6-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66456456
6-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
CID 66466186
N-[(2-chlorophenyl)methyl]-N-methyl-5-(methylaminomethyl)pyrazin-2-amine
CID 107379915
N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine
CID 133313300
6-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62286059
6-chloro-4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 31537704
4-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 114926248

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine?
The IUPAC name of 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine (CID 66465732) is 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine is CN(Cc1ccccc1Cl)c1cncc(CCl)n1.
What is the InChIKey of 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine?
The InChIKey is HJJZSCVSFVOQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-18(9-10-4-2-3-5-12(10)15)13-8-16-7-11(6-14)17-13/h2-5,7-8H,6,9H2,1H3.
What are the key properties of 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine?
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine has a molecular weight of 282.17 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 66465732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).