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

C13H13Br2N3O — CID 103410626

IUPAC2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine
SMILESCOc1cc(Nc2ccc(N)c(C)n2)c(Br)cc1Br
InChIInChI=1S/C13H13Br2N3O/c1-7-10(16)3-4-13(17-7)18-11-6-12(19-2)9(15)5-8(11)14/h3-6H,16H2,1-2H3,(H,17,18)
InChIKeyLTQFEPMMEDBHRN-UHFFFAOYSA-N
MW387.08 g/mol
LogP4.25
Rot. Bonds3

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

2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine (PubChem CID 103410626) has the molecular formula C13H13Br2N3O and a molecular weight of 387.08 g/mol. Its IUPAC name is 2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine
PubChem CID103410626
Molecular FormulaC13H13Br2N3O
Molecular Weight387.08 g/mol
Exact Mass384.94
IUPAC Name2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine
SMILESCOc1cc(Nc2ccc(N)c(C)n2)c(Br)cc1Br
InChIInChI=1S/C13H13Br2N3O/c1-7-10(16)3-4-13(17-7)18-11-6-12(19-2)9(15)5-8(11)14/h3-6H,16H2,1-2H3,(H,17,18)
InChIKeyLTQFEPMMEDBHRN-UHFFFAOYSA-N
XLogP4.25
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.08
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 103417170
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
2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine
CID 103417153
2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine
CID 107335763
6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 103416320
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
5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid
CID 107372598
5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 103410774
2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide
CID 103410417
5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine
CID 106999102

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine (CID 103410626) is 2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine is COc1cc(Nc2ccc(N)c(C)n2)c(Br)cc1Br.
What is the InChIKey of 2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine?
The InChIKey is LTQFEPMMEDBHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3O/c1-7-10(16)3-4-13(17-7)18-11-6-12(19-2)9(15)5-8(11)14/h3-6H,16H2,1-2H3,(H,17,18).
What are the key properties of 2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine?
2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine has a molecular weight of 387.08 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine is sourced from PubChem (CID 103410626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).