2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine

C11H11BrN4 — CID 80652758

IUPAC2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine
SMILESCc1cc(Nc2cnc(N)cn2)ccc1Br
InChIInChI=1S/C11H11BrN4/c1-7-4-8(2-3-9(7)12)16-11-6-14-10(13)5-15-11/h2-6H,1H3,(H2,13,14)(H,15,16)
InChIKeyCLNYQNAXUDWZPS-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.87
Rot. Bonds2

About 2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine

2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine (PubChem CID 80652758) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine
PubChem CID80652758
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine
SMILESCc1cc(Nc2cnc(N)cn2)ccc1Br
InChIInChI=1S/C11H11BrN4/c1-7-4-8(2-3-9(7)12)16-11-6-14-10(13)5-15-11/h2-6H,1H3,(H2,13,14)(H,15,16)
InChIKeyCLNYQNAXUDWZPS-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-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide
CID 109287309
5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288979
2-N-(3,4-dimethylphenyl)-4-methylpyridine-2,5-diamine
CID 79020766
N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine
CID 61277543
2-N-(4-chloro-3-fluorophenyl)pyrazine-2,5-diamine
CID 80652778
2-N-phenylpyrazine-2,5-diamine
CID 80652109
5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294407
5-(4-bromo-3-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272503
3-N-(5-bromo-4-methyl-2-pyridinyl)benzene-1,3-diamine
CID 114869099
5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283613
5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile
CID 54938559
4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563598

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine?
The IUPAC name of 2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine (CID 80652758) is 2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine?
The canonical SMILES for 2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine is Cc1cc(Nc2cnc(N)cn2)ccc1Br.
What is the InChIKey of 2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine?
The InChIKey is CLNYQNAXUDWZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c1-7-4-8(2-3-9(7)12)16-11-6-14-10(13)5-15-11/h2-6H,1H3,(H2,13,14)(H,15,16).
What are the key properties of 2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine?
2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-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 2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine is sourced from PubChem (CID 80652758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).