6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C13H17N5O2 — CID 649892

IUPAC6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCc2ccco2)nc(OCC)n1
InChIInChI=1S/C13H17N5O2/c1-3-7-14-11-16-12(18-13(17-11)19-4-2)15-9-10-6-5-8-20-10/h3,5-6,8H,1,4,7,9H2,2H3,(H2,14,15,16,17,18)
InChIKeyGEDHZAQXEAFMRB-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.07
Rot. Bonds8

About 6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 649892) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID649892
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCc2ccco2)nc(OCC)n1
InChIInChI=1S/C13H17N5O2/c1-3-7-14-11-16-12(18-13(17-11)19-4-2)15-9-10-6-5-8-20-10/h3,5-6,8H,1,4,7,9H2,2H3,(H2,14,15,16,17,18)
InChIKeyGEDHZAQXEAFMRB-UHFFFAOYSA-N
XLogP2.07
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 649892) is 6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCc2ccco2)nc(OCC)n1.
What is the InChIKey of 6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GEDHZAQXEAFMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-7-14-11-16-12(18-13(17-11)19-4-2)15-9-10-6-5-8-20-10/h3,5-6,8H,1,4,7,9H2,2H3,(H2,14,15,16,17,18).
What are the key properties of 6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 275.31 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 649892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).