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

C12H12BrN3O — CID 103058498

IUPAC5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(COc2ccccc2Br)cn1
InChIInChI=1S/C12H12BrN3O/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)
InChIKeyBIHZNKIOUKEWHO-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.86
Rot. Bonds4

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

5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine (PubChem CID 103058498) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine
PubChem CID103058498
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine
SMILESCNc1cnc(COc2ccccc2Br)cn1
InChIInChI=1S/C12H12BrN3O/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)
InChIKeyBIHZNKIOUKEWHO-UHFFFAOYSA-N
XLogP2.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103058495
5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058191
[5-[(2-bromophenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061839
2-[[5-(methylamino)pyrazin-2-yl]methoxy]benzamide
CID 103058350
4-[(2-bromophenoxy)methyl]-N-methylpyrimidin-2-amine
CID 112751384
5-[(3,4-dichlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058876
5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059297
5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine
CID 103056062
N-methyl-5-[(2,4,6-trichlorophenoxy)methyl]pyrazin-2-amine
CID 103058486
5-[(2-tert-butyl-5-methylphenoxy)methyl]-N-methylpyrazin-2-amine
CID 103057883
[5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061987
5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine
CID 62194637

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine (CID 103058498) is 5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine is CNc1cnc(COc2ccccc2Br)cn1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine?
The InChIKey is BIHZNKIOUKEWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/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-bromophenoxy)methyl]-N-methylpyrazin-2-amine?
5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine has a molecular weight of 294.15 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 103058498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).