[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine

C12H12BrN3O — CID 107283228

IUPAC[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine
SMILESCc1ccc(Br)cc1Oc1cnc(CN)cn1
InChIInChI=1S/C12H12BrN3O/c1-8-2-3-9(13)4-11(8)17-12-7-15-10(5-14)6-16-12/h2-4,6-7H,5,14H2,1H3
InChIKeyKBZHXGRHPXVMMA-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.80
Rot. Bonds3

About [5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine

[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine (PubChem CID 107283228) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is [5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine
PubChem CID107283228
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine
SMILESCc1ccc(Br)cc1Oc1cnc(CN)cn1
InChIInChI=1S/C12H12BrN3O/c1-8-2-3-9(13)4-11(8)17-12-7-15-10(5-14)6-16-12/h2-4,6-7H,5,14H2,1H3
InChIKeyKBZHXGRHPXVMMA-UHFFFAOYSA-N
XLogP2.80
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanol
CID 107373261
[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methanamine
CID 107285585
6-(5-bromo-2-methylphenoxy)pyridin-3-amine
CID 107283348
2-(5-bromo-2-methylphenoxy)pyrazine
CID 107284336
2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine
CID 66876057
1-[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanol
CID 107284929
[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methanamine
CID 107381680
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 107285112
[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]methanamine
CID 113320455
2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine
CID 114057591
[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine
CID 82828118
2-(5-bromo-2-methylphenoxy)-1,3-thiazol-5-amine
CID 107283345

Frequently Asked Questions

What is the IUPAC name of [5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine?
The IUPAC name of [5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine (CID 107283228) is [5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine.
What is the SMILES notation for [5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine?
The canonical SMILES for [5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine is Cc1ccc(Br)cc1Oc1cnc(CN)cn1.
What is the InChIKey of [5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine?
The InChIKey is KBZHXGRHPXVMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-2-3-9(13)4-11(8)17-12-7-15-10(5-14)6-16-12/h2-4,6-7H,5,14H2,1H3.
What are the key properties of [5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine?
[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine has a molecular weight of 294.15 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine is sourced from PubChem (CID 107283228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).