4-(2-chloroethoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine

C8H13ClN4O2 — CID 607418

IUPAC4-(2-chloroethoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(OCCCl)n1
InChIInChI=1S/C8H13ClN4O2/c1-3-10-6-11-7(14-2)13-8(12-6)15-5-4-9/h3-5H2,1-2H3,(H,10,11,12,13)
InChIKeyOYFWOWRYVUENOJ-UHFFFAOYSA-N
MW232.67 g/mol
LogP0.93
Rot. Bonds6

About 4-(2-chloroethoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine

4-(2-chloroethoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 607418) has the molecular formula C8H13ClN4O2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-(2-chloroethoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chloroethoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
PubChem CID607418
Molecular FormulaC8H13ClN4O2
Molecular Weight232.67 g/mol
Exact Mass232.07
IUPAC Name4-(2-chloroethoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(OCCCl)n1
InChIInChI=1S/C8H13ClN4O2/c1-3-10-6-11-7(14-2)13-8(12-6)15-5-4-9/h3-5H2,1-2H3,(H,10,11,12,13)
InChIKeyOYFWOWRYVUENOJ-UHFFFAOYSA-N
XLogP0.93
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chloroethoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine (CID 607418) is 4-(2-chloroethoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chloroethoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chloroethoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(OCCCl)n1.
What is the InChIKey of 4-(2-chloroethoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is OYFWOWRYVUENOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O2/c1-3-10-6-11-7(14-2)13-8(12-6)15-5-4-9/h3-5H2,1-2H3,(H,10,11,12,13).
What are the key properties of 4-(2-chloroethoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine?
4-(2-chloroethoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 232.67 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 607418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).