5-(2,5-dibromo-4-methoxyphenoxy)pyrazine-2-carboximidamide

C12H10Br2N4O2 — CID 79403982

IUPAC5-(2,5-dibromo-4-methoxyphenoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1cnc(Oc2cc(Br)c(OC)cc2Br)cn1
InChIInChI=1S/C12H10Br2N4O2/c1-19-9-2-7(14)10(3-6(9)13)20-11-5-17-8(4-18-11)12(15)16/h2-5H,1H3,(H3,15,16)
InChIKeyVWSOODKZDUZXNH-UHFFFAOYSA-N
MW402.05 g/mol
LogP3.09
Rot. Bonds4

About 5-(2,5-dibromo-4-methoxyphenoxy)pyrazine-2-carboximidamide

5-(2,5-dibromo-4-methoxyphenoxy)pyrazine-2-carboximidamide (PubChem CID 79403982) has the molecular formula C12H10Br2N4O2 and a molecular weight of 402.05 g/mol. Its IUPAC name is 5-(2,5-dibromo-4-methoxyphenoxy)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name5-(2,5-dibromo-4-methoxyphenoxy)pyrazine-2-carboximidamide
PubChem CID79403982
Molecular FormulaC12H10Br2N4O2
Molecular Weight402.05 g/mol
Exact Mass399.92
IUPAC Name5-(2,5-dibromo-4-methoxyphenoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1cnc(Oc2cc(Br)c(OC)cc2Br)cn1
InChIInChI=1S/C12H10Br2N4O2/c1-19-9-2-7(14)10(3-6(9)13)20-11-5-17-8(4-18-11)12(15)16/h2-5H,1H3,(H3,15,16)
InChIKeyVWSOODKZDUZXNH-UHFFFAOYSA-N
XLogP3.09
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.05
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-(2,5-dibromo-4-methoxyphenoxy)pyrazine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dibromo-4-methoxyphenoxy)pyrazine-2-carboximidamide?
The IUPAC name of 5-(2,5-dibromo-4-methoxyphenoxy)pyrazine-2-carboximidamide (CID 79403982) is 5-(2,5-dibromo-4-methoxyphenoxy)pyrazine-2-carboximidamide.
What is the SMILES notation for 5-(2,5-dibromo-4-methoxyphenoxy)pyrazine-2-carboximidamide?
The canonical SMILES for 5-(2,5-dibromo-4-methoxyphenoxy)pyrazine-2-carboximidamide is [H]/N=C(\N)c1cnc(Oc2cc(Br)c(OC)cc2Br)cn1.
What is the InChIKey of 5-(2,5-dibromo-4-methoxyphenoxy)pyrazine-2-carboximidamide?
The InChIKey is VWSOODKZDUZXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N4O2/c1-19-9-2-7(14)10(3-6(9)13)20-11-5-17-8(4-18-11)12(15)16/h2-5H,1H3,(H3,15,16).
What are the key properties of 5-(2,5-dibromo-4-methoxyphenoxy)pyrazine-2-carboximidamide?
5-(2,5-dibromo-4-methoxyphenoxy)pyrazine-2-carboximidamide has a molecular weight of 402.05 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dibromo-4-methoxyphenoxy)pyrazine-2-carboximidamide is sourced from PubChem (CID 79403982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).