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

C16H25N5O2 — CID 3128957

IUPAC6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-hexyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCNc1nc(NCc2ccco2)nc(OCC)n1
InChIInChI=1S/C16H25N5O2/c1-3-5-6-7-10-17-14-19-15(21-16(20-14)22-4-2)18-12-13-9-8-11-23-13/h8-9,11H,3-7,10,12H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyIOUSNEFHJKZMFR-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.47
Rot. Bonds11

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

6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-hexyl-1,3,5-triazine-2,4-diamine (PubChem CID 3128957) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-hexyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-hexyl-1,3,5-triazine-2,4-diamine
PubChem CID3128957
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-hexyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCNc1nc(NCc2ccco2)nc(OCC)n1
InChIInChI=1S/C16H25N5O2/c1-3-5-6-7-10-17-14-19-15(21-16(20-14)22-4-2)18-12-13-9-8-11-23-13/h8-9,11H,3-7,10,12H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyIOUSNEFHJKZMFR-UHFFFAOYSA-N
XLogP3.47
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-hexyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-hexyl-1,3,5-triazine-2,4-diamine (CID 3128957) is 6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-hexyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-hexyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-hexyl-1,3,5-triazine-2,4-diamine is CCCCCCNc1nc(NCc2ccco2)nc(OCC)n1.
What is the InChIKey of 6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-hexyl-1,3,5-triazine-2,4-diamine?
The InChIKey is IOUSNEFHJKZMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-3-5-6-7-10-17-14-19-15(21-16(20-14)22-4-2)18-12-13-9-8-11-23-13/h8-9,11H,3-7,10,12H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-hexyl-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-(furan-2-ylmethyl)-4-N-hexyl-1,3,5-triazine-2,4-diamine has a molecular weight of 319.41 g/mol, XLogP of 3.47, 11 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-hexyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3128957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).