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

C10H16BrN3O2 — CID 104506759

IUPAC2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
SMILESCc1c(N)cnc(NCCOCCO)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-7-8(12)6-14-10(9(7)11)13-2-4-16-5-3-15/h6,15H,2-5,12H2,1H3,(H,13,14)
InChIKeyLUEIELLDXKSHLH-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.16
Rot. Bonds6

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

2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol (PubChem CID 104506759) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
PubChem CID104506759
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
SMILESCc1c(N)cnc(NCCOCCO)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-7-8(12)6-14-10(9(7)11)13-2-4-16-5-3-15/h6,15H,2-5,12H2,1H3,(H,13,14)
InChIKeyLUEIELLDXKSHLH-UHFFFAOYSA-N
XLogP1.16
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine
CID 113420486
2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 105366900
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide
CID 104506470
3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
CID 104506832
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 104506894
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol
CID 104507039
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106166830
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106244071
3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine
CID 104506698
3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
CID 104506284
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106334627

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol (CID 104506759) is 2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol is Cc1c(N)cnc(NCCOCCO)c1Br.
What is the InChIKey of 2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol?
The InChIKey is LUEIELLDXKSHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-7-8(12)6-14-10(9(7)11)13-2-4-16-5-3-15/h6,15H,2-5,12H2,1H3,(H,13,14).
What are the key properties of 2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol?
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol has a molecular weight of 290.16 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol is sourced from PubChem (CID 104506759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).