5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine

C12H13BrN4 — CID 86661943

IUPAC5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine
SMILESCCc1cccc(Nc2ncc(Br)nc2N)c1
InChIInChI=1S/C12H13BrN4/c1-2-8-4-3-5-9(6-8)16-12-11(14)17-10(13)7-15-12/h3-7H,2H2,1H3,(H2,14,17)(H,15,16)
InChIKeyQDMWDMNHISELTR-UHFFFAOYSA-N
MW293.17 g/mol
LogP3.13
Rot. Bonds3

About 5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine

5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine (PubChem CID 86661943) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine
PubChem CID86661943
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine
SMILESCCc1cccc(Nc2ncc(Br)nc2N)c1
InChIInChI=1S/C12H13BrN4/c1-2-8-4-3-5-9(6-8)16-12-11(14)17-10(13)7-15-12/h3-7H,2H2,1H3,(H2,14,17)(H,15,16)
InChIKeyQDMWDMNHISELTR-UHFFFAOYSA-N
XLogP3.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-2-N-phenylpyrazine-2,3-diamine
CID 91037057
3-bromo-N-(3-ethylphenyl)-5-methylpyridin-2-amine
CID 105367623
4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80762166
2-N-(3-ethylphenyl)pyridine-2,5-diamine
CID 20714461
3-bromo-N-(3-ethylphenyl)pyridin-2-amine
CID 63463490
5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114071894
2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine
CID 20714444
6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine
CID 113316737
N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927980
2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine
CID 79080610
5-bromo-N-(3-ethylphenyl)pyridin-3-amine
CID 104531520
6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80971019

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine (CID 86661943) is 5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine is CCc1cccc(Nc2ncc(Br)nc2N)c1.
What is the InChIKey of 5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine?
The InChIKey is QDMWDMNHISELTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-2-8-4-3-5-9(6-8)16-12-11(14)17-10(13)7-15-12/h3-7H,2H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine?
5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine has a molecular weight of 293.17 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine is sourced from PubChem (CID 86661943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).