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

C7H13N5O2 — CID 141091579

IUPAC2-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethanol
SMILESCC(OCCO)c1nc(N)nc(N)n1
InChIInChI=1S/C7H13N5O2/c1-4(14-3-2-13)5-10-6(8)12-7(9)11-5/h4,13H,2-3H2,1H3,(H4,8,9,10,11,12)
InChIKeyKDRNTDPXKBFEDI-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.89
Rot. Bonds4

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

2-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethanol (PubChem CID 141091579) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethanol
PubChem CID141091579
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name2-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethanol
SMILESCC(OCCO)c1nc(N)nc(N)n1
InChIInChI=1S/C7H13N5O2/c1-4(14-3-2-13)5-10-6(8)12-7(9)11-5/h4,13H,2-3H2,1H3,(H4,8,9,10,11,12)
InChIKeyKDRNTDPXKBFEDI-UHFFFAOYSA-N
XLogP-0.89
TPSA120.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethanol?
The IUPAC name of 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethanol (CID 141091579) is 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethanol?
The canonical SMILES for 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethanol is CC(OCCO)c1nc(N)nc(N)n1.
What is the InChIKey of 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethanol?
The InChIKey is KDRNTDPXKBFEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-4(14-3-2-13)5-10-6(8)12-7(9)11-5/h4,13H,2-3H2,1H3,(H4,8,9,10,11,12).
What are the key properties of 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethanol?
2-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethanol has a molecular weight of 199.21 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethanol is sourced from PubChem (CID 141091579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).