3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine

C11H11BrN4 — CID 107638555

IUPAC3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine
SMILESCc1c(Br)cccc1Nc1nccnc1N
InChIInChI=1S/C11H11BrN4/c1-7-8(12)3-2-4-9(7)16-11-10(13)14-5-6-15-11/h2-6H,1H3,(H2,13,14)(H,15,16)
InChIKeyANKVZZYLNBGUEX-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.87
Rot. Bonds2

About 3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine

3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine (PubChem CID 107638555) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine
PubChem CID107638555
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine
SMILESCc1c(Br)cccc1Nc1nccnc1N
InChIInChI=1S/C11H11BrN4/c1-7-8(12)3-2-4-9(7)16-11-10(13)14-5-6-15-11/h2-6H,1H3,(H2,13,14)(H,15,16)
InChIKeyANKVZZYLNBGUEX-UHFFFAOYSA-N
XLogP2.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107638633
4-N-(3-bromo-2-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 107638778
4-N-(3-bromo-2-methylphenyl)pyridine-3,4-diamine
CID 107633766
N-(3-bromo-2-methylphenyl)-1-methylimidazol-2-amine
CID 107627985
3-N-(2-ethylphenyl)pyrazine-2,3-diamine
CID 102985203
3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine
CID 107638006
5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
CID 107637005
N-(3-bromo-2-methylphenyl)-6-chloro-5-methoxypyrimidin-4-amine
CID 107636954
4-N-(2-bromophenyl)-5-methylpyrimidine-4,6-diamine
CID 80760482
3-N-(2-phenylphenyl)pyrazine-2,3-diamine
CID 102984843
2-N-(3-bromo-2-methylphenyl)-3-methylbenzene-1,2-diamine
CID 107633682
N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107636939

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine (CID 107638555) is 3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine is Cc1c(Br)cccc1Nc1nccnc1N.
What is the InChIKey of 3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine?
The InChIKey is ANKVZZYLNBGUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c1-7-8(12)3-2-4-9(7)16-11-10(13)14-5-6-15-11/h2-6H,1H3,(H2,13,14)(H,15,16).
What are the key properties of 3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine?
3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine has a molecular weight of 279.14 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine is sourced from PubChem (CID 107638555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).