4-[(E)-but-2-enoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine

C10H16N4O2 — CID 80872378

IUPAC4-[(E)-but-2-enoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESC/C=C/COc1nc(NC)nc(OCC)n1
InChIInChI=1S/C10H16N4O2/c1-4-6-7-16-10-13-8(11-3)12-9(14-10)15-5-2/h4,6H,5,7H2,1-3H3,(H,11,12,13,14)/b6-4+
InChIKeyCDJYDMYNUGOJEU-GQCTYLIASA-N
MW224.26 g/mol
LogP1.27
Rot. Bonds6

About 4-[(E)-but-2-enoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine

4-[(E)-but-2-enoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80872378) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[(E)-but-2-enoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(E)-but-2-enoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID80872378
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-[(E)-but-2-enoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
SMILESC/C=C/COc1nc(NC)nc(OCC)n1
InChIInChI=1S/C10H16N4O2/c1-4-6-7-16-10-13-8(11-3)12-9(14-10)15-5-2/h4,6H,5,7H2,1-3H3,(H,11,12,13,14)/b6-4+
InChIKeyCDJYDMYNUGOJEU-GQCTYLIASA-N
XLogP1.27
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(E)-but-2-enoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine (CID 80872378) is 4-[(E)-but-2-enoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(E)-but-2-enoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(E)-but-2-enoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine is C/C=C/COc1nc(NC)nc(OCC)n1.
What is the InChIKey of 4-[(E)-but-2-enoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is CDJYDMYNUGOJEU-GQCTYLIASA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-6-7-16-10-13-8(11-3)12-9(14-10)15-5-2/h4,6H,5,7H2,1-3H3,(H,11,12,13,14)/b6-4+.
What are the key properties of 4-[(E)-but-2-enoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine?
4-[(E)-but-2-enoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 224.26 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80872378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).