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

C11H20N4O3 — CID 106451460

IUPAC4-methoxy-N-methyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(OCCOCC(C)C)n1
InChIInChI=1S/C11H20N4O3/c1-8(2)7-17-5-6-18-11-14-9(12-3)13-10(15-11)16-4/h8H,5-7H2,1-4H3,(H,12,13,14,15)
InChIKeyCBRYLDYHVHJNAZ-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.97
Rot. Bonds8

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

4-methoxy-N-methyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazin-2-amine (PubChem CID 106451460) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-methoxy-N-methyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazin-2-amine
PubChem CID106451460
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name4-methoxy-N-methyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(OCCOCC(C)C)n1
InChIInChI=1S/C11H20N4O3/c1-8(2)7-17-5-6-18-11-14-9(12-3)13-10(15-11)16-4/h8H,5-7H2,1-4H3,(H,12,13,14,15)
InChIKeyCBRYLDYHVHJNAZ-UHFFFAOYSA-N
XLogP0.97
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.97
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-methoxy-N-methyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-N-methyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazin-2-amine (CID 106451460) is 4-methoxy-N-methyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazin-2-amine is CNc1nc(OC)nc(OCCOCC(C)C)n1.
What is the InChIKey of 4-methoxy-N-methyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazin-2-amine?
The InChIKey is CBRYLDYHVHJNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-8(2)7-17-5-6-18-11-14-9(12-3)13-10(15-11)16-4/h8H,5-7H2,1-4H3,(H,12,13,14,15).
What are the key properties of 4-methoxy-N-methyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazin-2-amine?
4-methoxy-N-methyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazin-2-amine has a molecular weight of 256.31 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 106451460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).