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

C11H21N5O3 — CID 80827068

IUPAC2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
SMILESCCCNc1nc(NCCOCCO)nc(OC)n1
InChIInChI=1S/C11H21N5O3/c1-3-4-12-9-14-10(16-11(15-9)18-2)13-5-7-19-8-6-17/h17H,3-8H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyZLUDWUZDBNHTFV-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.12
Rot. Bonds10

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

2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol (PubChem CID 80827068) has the molecular formula C11H21N5O3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
PubChem CID80827068
Molecular FormulaC11H21N5O3
Molecular Weight271.32 g/mol
Exact Mass271.16
IUPAC Name2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
SMILESCCCNc1nc(NCCOCCO)nc(OC)n1
InChIInChI=1S/C11H21N5O3/c1-3-4-12-9-14-10(16-11(15-9)18-2)13-5-7-19-8-6-17/h17H,3-8H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyZLUDWUZDBNHTFV-UHFFFAOYSA-N
XLogP0.12
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62858323
2-[3-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311525
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215694
2-N-(2-butoxyethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80819040
3-methoxy-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 106198781
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780126
2-[3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311585
3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol
CID 106118553
methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80778176
2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 107868657
2-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80827070
2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol
CID 60732417

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol (CID 80827068) is 2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol is CCCNc1nc(NCCOCCO)nc(OC)n1.
What is the InChIKey of 2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
The InChIKey is ZLUDWUZDBNHTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3/c1-3-4-12-9-14-10(16-11(15-9)18-2)13-5-7-19-8-6-17/h17H,3-8H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol has a molecular weight of 271.32 g/mol, XLogP of 0.12, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 80827068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).