5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine

C12H12ClN3O — CID 103058191

IUPAC5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(COc2ccccc2Cl)cn1
InChIInChI=1S/C12H12ClN3O/c1-14-12-7-15-9(6-16-12)8-17-11-5-3-2-4-10(11)13/h2-7H,8H2,1H3,(H,14,16)
InChIKeyMLDDAJXCYPWZGD-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.75
Rot. Bonds4

About 5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine

5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine (PubChem CID 103058191) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine
PubChem CID103058191
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(COc2ccccc2Cl)cn1
InChIInChI=1S/C12H12ClN3O/c1-14-12-7-15-9(6-16-12)8-17-11-5-3-2-4-10(11)13/h2-7H,8H2,1H3,(H,14,16)
InChIKeyMLDDAJXCYPWZGD-UHFFFAOYSA-N
XLogP2.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058498
5-[(2-chlorophenoxy)methyl]-N-methylpyridin-2-amine
CID 55044923
2-[[5-(methylamino)pyrazin-2-yl]methoxy]benzamide
CID 103058350
5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058876
N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine
CID 103058486
5-[(4-chloro-3-methylphenoxy)methyl]-N-methylpyrazin-2-amine
CID 103057871
5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine
CID 103057883
5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059015
5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103058081
4-[(2-chlorophenoxy)methyl]-1-methylimidazole
CID 117191456
4-[(2-chlorophenoxy)methyl]-N-methylthiadiazol-5-amine
CID 62193700
4-[(2-chlorophenoxy)methyl]-1-methyltriazole
CID 103866170

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine (CID 103058191) is 5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine is CNc1cnc(COc2ccccc2Cl)cn1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine?
The InChIKey is MLDDAJXCYPWZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-14-12-7-15-9(6-16-12)8-17-11-5-3-2-4-10(11)13/h2-7H,8H2,1H3,(H,14,16).
What are the key properties of 5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine?
5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine has a molecular weight of 249.70 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 103058191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).