2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol

C11H18BrN3O — CID 104506524

IUPAC2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol
SMILESCCCN(CCO)c1ncc(N)c(C)c1Br
InChIInChI=1S/C11H18BrN3O/c1-3-4-15(5-6-16)11-10(12)8(2)9(13)7-14-11/h7,16H,3-6,13H2,1-2H3
InChIKeySNYKQKOAFKAJPH-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.94
Rot. Bonds5

About 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol

2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol (PubChem CID 104506524) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol
PubChem CID104506524
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol
SMILESCCCN(CCO)c1ncc(N)c(C)c1Br
InChIInChI=1S/C11H18BrN3O/c1-3-4-15(5-6-16)11-10(12)8(2)9(13)7-14-11/h7,16H,3-6,13H2,1-2H3
InChIKeySNYKQKOAFKAJPH-UHFFFAOYSA-N
XLogP1.94
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine
CID 104506702
3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 104506452
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859445
2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol
CID 114072039
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)sulfanyl]propan-1-ol
CID 104507687
2-[[3-methyl-5-(propylaminomethyl)-2-pyridinyl]-propylamino]ethanol
CID 80629864
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 113420435
2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-propylamino]ethanol
CID 80896004
3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 104506805
2-[(5-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol
CID 115774139
2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-propylamino]ethanol
CID 106747408
3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine
CID 104506952

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol?
The IUPAC name of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol (CID 104506524) is 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol.
What is the SMILES notation for 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol?
The canonical SMILES for 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol is CCCN(CCO)c1ncc(N)c(C)c1Br.
What is the InChIKey of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol?
The InChIKey is SNYKQKOAFKAJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-3-4-15(5-6-16)11-10(12)8(2)9(13)7-14-11/h7,16H,3-6,13H2,1-2H3.
What are the key properties of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol?
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol has a molecular weight of 288.19 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol is sourced from PubChem (CID 104506524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).