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

C14H15Br2N3O — CID 103417125

IUPAC6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(Nc2cc(OC)c(Br)cc2Br)n1
InChIInChI=1S/C14H15Br2N3O/c1-3-17-13-5-4-6-14(19-13)18-11-8-12(20-2)10(16)7-9(11)15/h4-8H,3H2,1-2H3,(H2,17,18,19)
InChIKeyYFAQXVBCQCEOFI-UHFFFAOYSA-N
MW401.10 g/mol
LogP4.79
Rot. Bonds5

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

6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine (PubChem CID 103417125) has the molecular formula C14H15Br2N3O and a molecular weight of 401.10 g/mol. Its IUPAC name is 6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
PubChem CID103417125
Molecular FormulaC14H15Br2N3O
Molecular Weight401.10 g/mol
Exact Mass398.96
IUPAC Name6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(Nc2cc(OC)c(Br)cc2Br)n1
InChIInChI=1S/C14H15Br2N3O/c1-3-17-13-5-4-6-14(19-13)18-11-8-12(20-2)10(16)7-9(11)15/h4-8H,3H2,1-2H3,(H2,17,18,19)
InChIKeyYFAQXVBCQCEOFI-UHFFFAOYSA-N
XLogP4.79
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.10
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine
CID 103410626
2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine
CID 103417153
6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80759261
6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80814732
4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 103417160
6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 82862442
4-bromo-N-ethyl-2,5-dimethoxyaniline
CID 21117288
6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 103481895
6-N-(2-ethoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80763064
6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 80761080
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

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine (CID 103417125) is 6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine is CCNc1cccc(Nc2cc(OC)c(Br)cc2Br)n1.
What is the InChIKey of 6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine?
The InChIKey is YFAQXVBCQCEOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3O/c1-3-17-13-5-4-6-14(19-13)18-11-8-12(20-2)10(16)7-9(11)15/h4-8H,3H2,1-2H3,(H2,17,18,19).
What are the key properties of 6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine?
6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine has a molecular weight of 401.10 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,4-dibromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 103417125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).