[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine

C12H12BrN3O — CID 82828118

IUPAC[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine
SMILESNCc1cnc(OCc2ccc(Br)cc2)cn1
InChIInChI=1S/C12H12BrN3O/c13-10-3-1-9(2-4-10)8-17-12-7-15-11(5-14)6-16-12/h1-4,6-7H,5,8,14H2
InChIKeyIDLDGZLTZLMVTA-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.28
Rot. Bonds4

About [5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine

[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine (PubChem CID 82828118) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is [5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine
PubChem CID82828118
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine
SMILESNCc1cnc(OCc2ccc(Br)cc2)cn1
InChIInChI=1S/C12H12BrN3O/c13-10-3-1-9(2-4-10)8-17-12-7-15-11(5-14)6-16-12/h1-4,6-7H,5,8,14H2
InChIKeyIDLDGZLTZLMVTA-UHFFFAOYSA-N
XLogP2.28
TPSA61.03 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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methyl]propan-1-amine
CID 107382393
[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine
CID 107283228
2-ethyl-5-phenylmethoxypyrazine
CID 144823706
(5-prop-2-enoxypyrazin-2-yl)methanamine
CID 107381316
2-bromo-5-phenylmethoxypyrazine
CID 46738200
2-[(4-bromophenyl)methoxy]-6-(chloromethyl)pyrazine
CID 82831567
2-bromo-6-[(4-bromophenyl)methoxy]pyridine
CID 82824913
5-bromo-2-[(4-methylsulfanylphenyl)methoxy]pyridine
CID 70248876
[3-[(4-bromophenyl)methoxy]-2-pyridinyl]methanamine
CID 82828357
[5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine
CID 82004607
2-[(4-bromophenyl)methoxy]-1,3-thiazol-5-amine
CID 102769593
[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 146194190

Frequently Asked Questions

What is the IUPAC name of [5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine?
The IUPAC name of [5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine (CID 82828118) is [5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine.
What is the SMILES notation for [5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine?
The canonical SMILES for [5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine is NCc1cnc(OCc2ccc(Br)cc2)cn1.
What is the InChIKey of [5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine?
The InChIKey is IDLDGZLTZLMVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-10-3-1-9(2-4-10)8-17-12-7-15-11(5-14)6-16-12/h1-4,6-7H,5,8,14H2.
What are the key properties of [5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine?
[5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine has a molecular weight of 294.15 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-bromophenyl)methoxy]pyrazin-2-yl]methanamine is sourced from PubChem (CID 82828118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).