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

C9H18N6O2 — CID 67172901

IUPAC2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCN(C)c1nc(NCCO)nc(NCCO)n1
InChIInChI=1S/C9H18N6O2/c1-15(2)9-13-7(10-3-5-16)12-8(14-9)11-4-6-17/h16-17H,3-6H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyNJXJIZLNLLGPHJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP-1.25
Rot. Bonds7

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

2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 67172901) has the molecular formula C9H18N6O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID67172901
Molecular FormulaC9H18N6O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC Name2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCN(C)c1nc(NCCO)nc(NCCO)n1
InChIInChI=1S/C9H18N6O2/c1-15(2)9-13-7(10-3-5-16)12-8(14-9)11-4-6-17/h16-17H,3-6H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyNJXJIZLNLLGPHJ-UHFFFAOYSA-N
XLogP-1.25
TPSA106.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol (CID 67172901) is 2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol is CN(C)c1nc(NCCO)nc(NCCO)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is NJXJIZLNLLGPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O2/c1-15(2)9-13-7(10-3-5-16)12-8(14-9)11-4-6-17/h16-17H,3-6H2,1-2H3,(H2,10,11,12,13,14).
What are the key properties of 2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 242.28 g/mol, XLogP of -1.25, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 67172901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).