N-(2-butoxyethyl)-4,6-dimethoxy-1,3,5-triazin-2-amine

C11H20N4O3 — CID 55135504

IUPACN-(2-butoxyethyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCCCCOCCNc1nc(OC)nc(OC)n1
InChIInChI=1S/C11H20N4O3/c1-4-5-7-18-8-6-12-9-13-10(16-2)15-11(14-9)17-3/h4-8H2,1-3H3,(H,12,13,14,15)
InChIKeySUZQLFFAJLLQCV-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.12
Rot. Bonds9

About N-(2-butoxyethyl)-4,6-dimethoxy-1,3,5-triazin-2-amine

N-(2-butoxyethyl)-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 55135504) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(2-butoxyethyl)-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID55135504
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC NameN-(2-butoxyethyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCCCCOCCNc1nc(OC)nc(OC)n1
InChIInChI=1S/C11H20N4O3/c1-4-5-7-18-8-6-12-9-13-10(16-2)15-11(14-9)17-3/h4-8H2,1-3H3,(H,12,13,14,15)
InChIKeySUZQLFFAJLLQCV-UHFFFAOYSA-N
XLogP1.12
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
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 N-(2-butoxyethyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-butoxyethyl)-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 55135504) is N-(2-butoxyethyl)-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-butoxyethyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-butoxyethyl)-4,6-dimethoxy-1,3,5-triazin-2-amine is CCCCOCCNc1nc(OC)nc(OC)n1.
What is the InChIKey of N-(2-butoxyethyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is SUZQLFFAJLLQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-4-5-7-18-8-6-12-9-13-10(16-2)15-11(14-9)17-3/h4-8H2,1-3H3,(H,12,13,14,15).
What are the key properties of N-(2-butoxyethyl)-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-(2-butoxyethyl)-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 256.31 g/mol, XLogP of 1.12, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 55135504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).