2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol

C8H13ClN4O3 — CID 62858323

IUPAC2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
SMILESCOc1nc(Cl)nc(NCCOCCO)n1
InChIInChI=1S/C8H13ClN4O3/c1-15-8-12-6(9)11-7(13-8)10-2-4-16-5-3-14/h14H,2-5H2,1H3,(H,10,11,12,13)
InChIKeyFFSDJMLIUKMFGC-UHFFFAOYSA-N
MW248.67 g/mol
LogP-0.05
Rot. Bonds7

About 2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol

2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol (PubChem CID 62858323) has the molecular formula C8H13ClN4O3 and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
PubChem CID62858323
Molecular FormulaC8H13ClN4O3
Molecular Weight248.67 g/mol
Exact Mass248.07
IUPAC Name2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
SMILESCOc1nc(Cl)nc(NCCOCCO)n1
InChIInChI=1S/C8H13ClN4O3/c1-15-8-12-6(9)11-7(13-8)10-2-4-16-5-3-14/h14H,2-5H2,1H3,(H,10,11,12,13)
InChIKeyFFSDJMLIUKMFGC-UHFFFAOYSA-N
XLogP-0.05
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80827068
2-[3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311525
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
CID 80860791
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]propanoic acid
CID 62859297
2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311585
1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol
CID 113430529
2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864714
4-chloro-6-methoxy-N-(2-piperidin-4-yloxyethyl)-1,3,5-triazin-2-amine
CID 63869500
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutanoic acid
CID 80539533
3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea
CID 83113419
2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol
CID 60732417
4-chloro-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]-1,3,5-triazin-2-amine
CID 114156897

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol (CID 62858323) is 2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol is COc1nc(Cl)nc(NCCOCCO)n1.
What is the InChIKey of 2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol?
The InChIKey is FFSDJMLIUKMFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O3/c1-15-8-12-6(9)11-7(13-8)10-2-4-16-5-3-14/h14H,2-5H2,1H3,(H,10,11,12,13).
What are the key properties of 2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol?
2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol has a molecular weight of 248.67 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 62858323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).