4,6-dimethoxy-N-octyl-1,3,5-triazin-2-amine

C13H24N4O2 — CID 5337953

IUPAC4,6-dimethoxy-N-octyl-1,3,5-triazin-2-amine
SMILESCCCCCCCCNc1nc(OC)nc(OC)n1
InChIInChI=1S/C13H24N4O2/c1-4-5-6-7-8-9-10-14-11-15-12(18-2)17-13(16-11)19-3/h4-10H2,1-3H3,(H,14,15,16,17)
InChIKeyQDLOHKCLESDMSS-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.66
Rot. Bonds10

About 4,6-dimethoxy-N-octyl-1,3,5-triazin-2-amine

4,6-dimethoxy-N-octyl-1,3,5-triazin-2-amine (PubChem CID 5337953) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4,6-dimethoxy-N-octyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-octyl-1,3,5-triazin-2-amine
PubChem CID5337953
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4,6-dimethoxy-N-octyl-1,3,5-triazin-2-amine
SMILESCCCCCCCCNc1nc(OC)nc(OC)n1
InChIInChI=1S/C13H24N4O2/c1-4-5-6-7-8-9-10-14-11-15-12(18-2)17-13(16-11)19-3/h4-10H2,1-3H3,(H,14,15,16,17)
InChIKeyQDLOHKCLESDMSS-UHFFFAOYSA-N
XLogP2.66
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4,6-dimethoxy-N-octyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-octyl-1,3,5-triazin-2-amine (CID 5337953) is 4,6-dimethoxy-N-octyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-octyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-octyl-1,3,5-triazin-2-amine is CCCCCCCCNc1nc(OC)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-octyl-1,3,5-triazin-2-amine?
The InChIKey is QDLOHKCLESDMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-5-6-7-8-9-10-14-11-15-12(18-2)17-13(16-11)19-3/h4-10H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4,6-dimethoxy-N-octyl-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-octyl-1,3,5-triazin-2-amine has a molecular weight of 268.36 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-octyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 5337953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).