2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine

C12H12Br2N4O — CID 103417153

IUPAC2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(Nc2cc(OC)c(Br)cc2Br)n1
InChIInChI=1S/C12H12Br2N4O/c1-15-11-5-16-6-12(18-11)17-9-4-10(19-2)8(14)3-7(9)13/h3-6H,1-2H3,(H2,15,17,18)
InChIKeyIPWHKSCGWKGOAV-UHFFFAOYSA-N
MW388.06 g/mol
LogP3.80
Rot. Bonds4

About 2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine

2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine (PubChem CID 103417153) has the molecular formula C12H12Br2N4O and a molecular weight of 388.06 g/mol. Its IUPAC name is 2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine
PubChem CID103417153
Molecular FormulaC12H12Br2N4O
Molecular Weight388.06 g/mol
Exact Mass385.94
IUPAC Name2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(Nc2cc(OC)c(Br)cc2Br)n1
InChIInChI=1S/C12H12Br2N4O/c1-15-11-5-16-6-12(18-11)17-9-4-10(19-2)8(14)3-7(9)13/h3-6H,1-2H3,(H2,15,17,18)
InChIKeyIPWHKSCGWKGOAV-UHFFFAOYSA-N
XLogP3.80
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 103417160
6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 103417125
4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 103417170
6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 103416320
5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine
CID 106999102
2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine
CID 103410626
5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid
CID 107372598
6-N-methyl-2-N-(2,4,5-trichlorophenyl)pyrazine-2,6-diamine
CID 80759464
4-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid
CID 103414759
4-bromo-2-N-(2,4-dibromo-5-methoxyphenyl)-5-fluorobenzene-1,2-diamine
CID 103410813
6-N-(2,4-dibromo-5-methoxyphenyl)-1H-indazole-5,6-diamine
CID 107491236
6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine
CID 80804696

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine (CID 103417153) is 2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine is CNc1cncc(Nc2cc(OC)c(Br)cc2Br)n1.
What is the InChIKey of 2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine?
The InChIKey is IPWHKSCGWKGOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N4O/c1-15-11-5-16-6-12(18-11)17-9-4-10(19-2)8(14)3-7(9)13/h3-6H,1-2H3,(H2,15,17,18).
What are the key properties of 2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine?
2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine has a molecular weight of 388.06 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 103417153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).