2-[[4-(butylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol

C11H22N6O2 — CID 23844899

IUPAC2-[[4-(butylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCCNc1nc(NCCO)nc(NCCO)n1
InChIInChI=1S/C11H22N6O2/c1-2-3-4-12-9-15-10(13-5-7-18)17-11(16-9)14-6-8-19/h18-19H,2-8H2,1H3,(H3,12,13,14,15,16,17)
InChIKeyOCPOVIPRDXAPGD-UHFFFAOYSA-N
MW270.34 g/mol
LogP-0.11
Rot. Bonds10

About 2-[[4-(butylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-(butylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23844899) has the molecular formula C11H22N6O2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[[4-(butylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(butylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23844899
Molecular FormulaC11H22N6O2
Molecular Weight270.34 g/mol
Exact Mass270.18
IUPAC Name2-[[4-(butylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCCCNc1nc(NCCO)nc(NCCO)n1
InChIInChI=1S/C11H22N6O2/c1-2-3-4-12-9-15-10(13-5-7-18)17-11(16-9)14-6-8-19/h18-19H,2-8H2,1H3,(H3,12,13,14,15,16,17)
InChIKeyOCPOVIPRDXAPGD-UHFFFAOYSA-N
XLogP-0.11
TPSA115.22 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(butylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(butylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol (CID 23844899) is 2-[[4-(butylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(butylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(butylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol is CCCCNc1nc(NCCO)nc(NCCO)n1.
What is the InChIKey of 2-[[4-(butylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is OCPOVIPRDXAPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O2/c1-2-3-4-12-9-15-10(13-5-7-18)17-11(16-9)14-6-8-19/h18-19H,2-8H2,1H3,(H3,12,13,14,15,16,17).
What are the key properties of 2-[[4-(butylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(butylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 270.34 g/mol, XLogP of -0.11, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(butylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23844899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).