6-ethoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine

C9H17N5O — CID 13262853

IUPAC6-ethoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C9H17N5O/c1-4-14(5-2)8-11-7(10)12-9(13-8)15-6-3/h4-6H2,1-3H3,(H2,10,11,12,13)
InChIKeyFXUWMCSHYIBONZ-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.70
Rot. Bonds5

About 6-ethoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 13262853) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 6-ethoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID13262853
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name6-ethoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C9H17N5O/c1-4-14(5-2)8-11-7(10)12-9(13-8)15-6-3/h4-6H2,1-3H3,(H2,10,11,12,13)
InChIKeyFXUWMCSHYIBONZ-UHFFFAOYSA-N
XLogP0.70
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (CID 13262853) is 6-ethoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(N(CC)CC)n1.
What is the InChIKey of 6-ethoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FXUWMCSHYIBONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-4-14(5-2)8-11-7(10)12-9(13-8)15-6-3/h4-6H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 6-ethoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 211.27 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 13262853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).