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

C8H16N6O — CID 60686141

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O/c1-2-14(3-4-15)5-6-11-7(9)13-8(10)12-6/h15H,2-5H2,1H3,(H4,9,10,11,12,13)
InChIKeyQVLDHNLPQAOQPZ-UHFFFAOYSA-N
MW212.26 g/mol
LogP-1.15
Rot. Bonds5

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

2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-ethylamino]ethanol (PubChem CID 60686141) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-ethylamino]ethanol
PubChem CID60686141
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-ethylamino]ethanol
SMILESCCN(CCO)Cc1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O/c1-2-14(3-4-15)5-6-11-7(9)13-8(10)12-6/h15H,2-5H2,1H3,(H4,9,10,11,12,13)
InChIKeyQVLDHNLPQAOQPZ-UHFFFAOYSA-N
XLogP-1.15
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-ethylamino]ethanol?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-ethylamino]ethanol (CID 60686141) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-ethylamino]ethanol.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-ethylamino]ethanol?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-ethylamino]ethanol is CCN(CCO)Cc1nc(N)nc(N)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-ethylamino]ethanol?
The InChIKey is QVLDHNLPQAOQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O/c1-2-14(3-4-15)5-6-11-7(9)13-8(10)12-6/h15H,2-5H2,1H3,(H4,9,10,11,12,13).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-ethylamino]ethanol?
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-ethylamino]ethanol has a molecular weight of 212.26 g/mol, XLogP of -1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-ethylamino]ethanol is sourced from PubChem (CID 60686141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).