2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(Z)-3-(furan-2-yl)prop-2-enyl]morpholine

C21H26N4O5 — CID 74228459

IUPAC2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(Z)-3-(furan-2-yl)prop-2-enyl]morpholine
SMILESC=CCOc1nc(OCC=C)nc(OCC2CN(C/C=C\c3ccco3)CCO2)n1
InChIInChI=1S/C21H26N4O5/c1-3-11-28-19-22-20(29-12-4-2)24-21(23-19)30-16-18-15-25(10-14-27-18)9-5-7-17-8-6-13-26-17/h3-8,13,18H,1-2,9-12,14-16H2/b7-5-
InChIKeyMOOMBIDEQKBACC-ALCCZGGFSA-N
MW414.46 g/mol
LogP2.39
Rot. Bonds12

About 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(Z)-3-(furan-2-yl)prop-2-enyl]morpholine

2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(Z)-3-(furan-2-yl)prop-2-enyl]morpholine (PubChem CID 74228459) has the molecular formula C21H26N4O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(Z)-3-(furan-2-yl)prop-2-enyl]morpholine.

Molecular Properties

Compound Name2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(Z)-3-(furan-2-yl)prop-2-enyl]morpholine
PubChem CID74228459
Molecular FormulaC21H26N4O5
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(Z)-3-(furan-2-yl)prop-2-enyl]morpholine
SMILESC=CCOc1nc(OCC=C)nc(OCC2CN(C/C=C\c3ccco3)CCO2)n1
InChIInChI=1S/C21H26N4O5/c1-3-11-28-19-22-20(29-12-4-2)24-21(23-19)30-16-18-15-25(10-14-27-18)9-5-7-17-8-6-13-26-17/h3-8,13,18H,1-2,9-12,14-16H2/b7-5-
InChIKeyMOOMBIDEQKBACC-ALCCZGGFSA-N
XLogP2.39
TPSA91.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(Z)-3-(furan-2-yl)prop-2-enyl]morpholine?
The IUPAC name of 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(Z)-3-(furan-2-yl)prop-2-enyl]morpholine (CID 74228459) is 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(Z)-3-(furan-2-yl)prop-2-enyl]morpholine.
What is the SMILES notation for 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(Z)-3-(furan-2-yl)prop-2-enyl]morpholine?
The canonical SMILES for 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(Z)-3-(furan-2-yl)prop-2-enyl]morpholine is C=CCOc1nc(OCC=C)nc(OCC2CN(C/C=C\c3ccco3)CCO2)n1.
What is the InChIKey of 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(Z)-3-(furan-2-yl)prop-2-enyl]morpholine?
The InChIKey is MOOMBIDEQKBACC-ALCCZGGFSA-N. The full InChI is InChI=1S/C21H26N4O5/c1-3-11-28-19-22-20(29-12-4-2)24-21(23-19)30-16-18-15-25(10-14-27-18)9-5-7-17-8-6-13-26-17/h3-8,13,18H,1-2,9-12,14-16H2/b7-5-.
What are the key properties of 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(Z)-3-(furan-2-yl)prop-2-enyl]morpholine?
2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(Z)-3-(furan-2-yl)prop-2-enyl]morpholine has a molecular weight of 414.46 g/mol, XLogP of 2.39, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(Z)-3-(furan-2-yl)prop-2-enyl]morpholine is sourced from PubChem (CID 74228459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).