3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine

C11H18BrN3O — CID 104506805

IUPAC3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine
SMILESCOCCCN(C)c1ncc(N)c(C)c1Br
InChIInChI=1S/C11H18BrN3O/c1-8-9(13)7-14-11(10(8)12)15(2)5-4-6-16-3/h7H,4-6,13H2,1-3H3
InChIKeyXPIVZTRIYZJLIQ-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.21
Rot. Bonds5

About 3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine

3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine (PubChem CID 104506805) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine
PubChem CID104506805
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine
SMILESCOCCCN(C)c1ncc(N)c(C)c1Br
InChIInChI=1S/C11H18BrN3O/c1-8-9(13)7-14-11(10(8)12)15(2)5-4-6-16-3/h7H,4-6,13H2,1-3H3
InChIKeyXPIVZTRIYZJLIQ-UHFFFAOYSA-N
XLogP2.21
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-N-(3-methoxypropyl)-2-N-methylpyridine-2,3-diamine
CID 59631539
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 113420435
2-N-(3-methoxypropyl)-2-N,5-dimethylpyridine-2,3-diamine
CID 66279324
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 104506622
3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine
CID 104506952
5-bromo-3-fluoro-N-(3-methoxypropyl)-N-methylpyridin-2-amine
CID 104918962
5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one
CID 136957802
3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine
CID 104506702
N-(3-methoxypropyl)-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
CID 80636357
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
CID 104506975
3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 104506452
6-hydrazinyl-N-(3-methoxypropyl)-N,5-dimethylpyrimidin-4-amine
CID 80913732

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine (CID 104506805) is 3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine is COCCCN(C)c1ncc(N)c(C)c1Br.
What is the InChIKey of 3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine?
The InChIKey is XPIVZTRIYZJLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-8-9(13)7-14-11(10(8)12)15(2)5-4-6-16-3/h7H,4-6,13H2,1-3H3.
What are the key properties of 3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine?
3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine has a molecular weight of 288.19 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 104506805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).