4,6-bis(but-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine

C14H20N4O2 — CID 141404351

IUPAC4,6-bis(but-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OCC=CC)nc(OCC=CC)n1
InChIInChI=1S/C14H20N4O2/c1-4-7-10-19-13-16-12(15-9-6-3)17-14(18-13)20-11-8-5-2/h4-8H,3,9-11H2,1-2H3,(H,15,16,17,18)
InChIKeyJRPYLOZQBAXORG-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.38
Rot. Bonds9

About 4,6-bis(but-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine

4,6-bis(but-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 141404351) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4,6-bis(but-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(but-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID141404351
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4,6-bis(but-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(OCC=CC)nc(OCC=CC)n1
InChIInChI=1S/C14H20N4O2/c1-4-7-10-19-13-16-12(15-9-6-3)17-14(18-13)20-11-8-5-2/h4-8H,3,9-11H2,1-2H3,(H,15,16,17,18)
InChIKeyJRPYLOZQBAXORG-UHFFFAOYSA-N
XLogP2.38
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.38
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 4,6-bis(but-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(but-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 141404351) is 4,6-bis(but-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(but-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(but-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1nc(OCC=CC)nc(OCC=CC)n1.
What is the InChIKey of 4,6-bis(but-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is JRPYLOZQBAXORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-7-10-19-13-16-12(15-9-6-3)17-14(18-13)20-11-8-5-2/h4-8H,3,9-11H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4,6-bis(but-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine?
4,6-bis(but-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 276.34 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(but-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 141404351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).