N-(5-bromo-2-methanimidoylphenyl)-6-ethylpyrazin-2-amine

C13H13BrN4 — CID 130265992

IUPACN-(5-bromo-2-methanimidoylphenyl)-6-ethylpyrazin-2-amine
SMILES[H]/N=C/c1ccc(Br)cc1Nc1cncc(CC)n1
InChIInChI=1S/C13H13BrN4/c1-2-11-7-16-8-13(17-11)18-12-5-10(14)4-3-9(12)6-15/h3-8,15H,2H2,1H3,(H,17,18)/b15-6+
InChIKeyRWPWOVXGZDNWBQ-GIDUJCDVSA-N
MW305.18 g/mol
LogP3.54
Rot. Bonds4

About N-(5-bromo-2-methanimidoylphenyl)-6-ethylpyrazin-2-amine

N-(5-bromo-2-methanimidoylphenyl)-6-ethylpyrazin-2-amine (PubChem CID 130265992) has the molecular formula C13H13BrN4 and a molecular weight of 305.18 g/mol. Its IUPAC name is N-(5-bromo-2-methanimidoylphenyl)-6-ethylpyrazin-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methanimidoylphenyl)-6-ethylpyrazin-2-amine
PubChem CID130265992
Molecular FormulaC13H13BrN4
Molecular Weight305.18 g/mol
Exact Mass304.03
IUPAC NameN-(5-bromo-2-methanimidoylphenyl)-6-ethylpyrazin-2-amine
SMILES[H]/N=C/c1ccc(Br)cc1Nc1cncc(CC)n1
InChIInChI=1S/C13H13BrN4/c1-2-11-7-16-8-13(17-11)18-12-5-10(14)4-3-9(12)6-15/h3-8,15H,2H2,1H3,(H,17,18)/b15-6+
InChIKeyRWPWOVXGZDNWBQ-GIDUJCDVSA-N
XLogP3.54
TPSA61.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methanimidoylphenyl)-6-ethylpyrazin-2-amine?
The IUPAC name of N-(5-bromo-2-methanimidoylphenyl)-6-ethylpyrazin-2-amine (CID 130265992) is N-(5-bromo-2-methanimidoylphenyl)-6-ethylpyrazin-2-amine.
What is the SMILES notation for N-(5-bromo-2-methanimidoylphenyl)-6-ethylpyrazin-2-amine?
The canonical SMILES for N-(5-bromo-2-methanimidoylphenyl)-6-ethylpyrazin-2-amine is [H]/N=C/c1ccc(Br)cc1Nc1cncc(CC)n1.
What is the InChIKey of N-(5-bromo-2-methanimidoylphenyl)-6-ethylpyrazin-2-amine?
The InChIKey is RWPWOVXGZDNWBQ-GIDUJCDVSA-N. The full InChI is InChI=1S/C13H13BrN4/c1-2-11-7-16-8-13(17-11)18-12-5-10(14)4-3-9(12)6-15/h3-8,15H,2H2,1H3,(H,17,18)/b15-6+.
What are the key properties of N-(5-bromo-2-methanimidoylphenyl)-6-ethylpyrazin-2-amine?
N-(5-bromo-2-methanimidoylphenyl)-6-ethylpyrazin-2-amine has a molecular weight of 305.18 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methanimidoylphenyl)-6-ethylpyrazin-2-amine is sourced from PubChem (CID 130265992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).