4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine

C12H22N4O3 — CID 106451498

IUPAC4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(OCCOCC(C)C)n1
InChIInChI=1S/C12H22N4O3/c1-4-5-18-11-14-10(13)15-12(16-11)19-7-6-17-8-9(2)3/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyHDWSFUQLAFXQGV-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.29
Rot. Bonds9

About 4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine

4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 106451498) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine
PubChem CID106451498
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(OCCOCC(C)C)n1
InChIInChI=1S/C12H22N4O3/c1-4-5-18-11-14-10(13)15-12(16-11)19-7-6-17-8-9(2)3/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyHDWSFUQLAFXQGV-UHFFFAOYSA-N
XLogP1.29
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.29
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 4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine (CID 106451498) is 4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(OCCOCC(C)C)n1.
What is the InChIKey of 4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is HDWSFUQLAFXQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-4-5-18-11-14-10(13)15-12(16-11)19-7-6-17-8-9(2)3/h9H,4-8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine?
4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 270.33 g/mol, XLogP of 1.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpropoxy)ethoxy]-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 106451498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).