3,5-dibromo-N-(2-methoxyethyl)pyrazin-2-amine

C7H9Br2N3O — CID 20855112

IUPAC3,5-dibromo-N-(2-methoxyethyl)pyrazin-2-amine
SMILESCOCCNc1ncc(Br)nc1Br
InChIInChI=1S/C7H9Br2N3O/c1-13-3-2-10-7-6(9)12-5(8)4-11-7/h4H,2-3H2,1H3,(H,10,11)
InChIKeyVISVCQGIUUSOQY-UHFFFAOYSA-N
MW310.98 g/mol
LogP2.06
Rot. Bonds4

About 3,5-dibromo-N-(2-methoxyethyl)pyrazin-2-amine

3,5-dibromo-N-(2-methoxyethyl)pyrazin-2-amine (PubChem CID 20855112) has the molecular formula C7H9Br2N3O and a molecular weight of 310.98 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-methoxyethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-(2-methoxyethyl)pyrazin-2-amine
PubChem CID20855112
Molecular FormulaC7H9Br2N3O
Molecular Weight310.98 g/mol
Exact Mass308.91
IUPAC Name3,5-dibromo-N-(2-methoxyethyl)pyrazin-2-amine
SMILESCOCCNc1ncc(Br)nc1Br
InChIInChI=1S/C7H9Br2N3O/c1-13-3-2-10-7-6(9)12-5(8)4-11-7/h4H,2-3H2,1H3,(H,10,11)
InChIKeyVISVCQGIUUSOQY-UHFFFAOYSA-N
XLogP2.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.98
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-methoxyethyl)pyrazin-2-amine?
The IUPAC name of 3,5-dibromo-N-(2-methoxyethyl)pyrazin-2-amine (CID 20855112) is 3,5-dibromo-N-(2-methoxyethyl)pyrazin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-(2-methoxyethyl)pyrazin-2-amine?
The canonical SMILES for 3,5-dibromo-N-(2-methoxyethyl)pyrazin-2-amine is COCCNc1ncc(Br)nc1Br.
What is the InChIKey of 3,5-dibromo-N-(2-methoxyethyl)pyrazin-2-amine?
The InChIKey is VISVCQGIUUSOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Br2N3O/c1-13-3-2-10-7-6(9)12-5(8)4-11-7/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 3,5-dibromo-N-(2-methoxyethyl)pyrazin-2-amine?
3,5-dibromo-N-(2-methoxyethyl)pyrazin-2-amine has a molecular weight of 310.98 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-methoxyethyl)pyrazin-2-amine is sourced from PubChem (CID 20855112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).