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

C9H18N6O — CID 80791325

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C9H18N6O/c1-4-15(5-6-16)9-12-7(10)11-8(13-9)14(2)3/h16H,4-6H2,1-3H3,(H2,10,11,12,13)
InChIKeyLNMZVMZEXGDELW-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.66
Rot. Bonds5

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

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol (PubChem CID 80791325) has the molecular formula C9H18N6O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol
PubChem CID80791325
Molecular FormulaC9H18N6O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C9H18N6O/c1-4-15(5-6-16)9-12-7(10)11-8(13-9)14(2)3/h16H,4-6H2,1-3H3,(H2,10,11,12,13)
InChIKeyLNMZVMZEXGDELW-UHFFFAOYSA-N
XLogP-0.66
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N,N-dimethylacetamide
CID 80809834
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide
CID 80808876
[(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol
CID 18793710
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-ethylamino]ethanol
CID 80899174
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyclopropylamino]ethanol
CID 80811019
2-N,2-N,4-N-triethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80774543
2-N,2-N-bis(2-methoxyethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80795772
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]ethanol
CID 61147655
2-N-[2-(dimethylamino)ethyl]-4-N,4-N-diethyl-2-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80795919
2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80833994
2-N-ethyl-4-N,4-N-dimethyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 80774603
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 80796977

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol (CID 80791325) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol is CCN(CCO)c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol?
The InChIKey is LNMZVMZEXGDELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O/c1-4-15(5-6-16)9-12-7(10)11-8(13-9)14(2)3/h16H,4-6H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol has a molecular weight of 226.28 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol is sourced from PubChem (CID 80791325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).