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

C8H13ClN4O2 — CID 598520

IUPAC4-(2-chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOc1nc(OCCCl)nc(N(C)C)n1
InChIInChI=1S/C8H13ClN4O2/c1-13(2)6-10-7(14-3)12-8(11-6)15-5-4-9/h4-5H2,1-3H3
InChIKeyQLAMKJCWTDJXQH-UHFFFAOYSA-N
MW232.67 g/mol
LogP0.56
Rot. Bonds5

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

4-(2-chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 598520) has the molecular formula C8H13ClN4O2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-(2-chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID598520
Molecular FormulaC8H13ClN4O2
Molecular Weight232.67 g/mol
Exact Mass232.07
IUPAC Name4-(2-chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCOc1nc(OCCCl)nc(N(C)C)n1
InChIInChI=1S/C8H13ClN4O2/c1-13(2)6-10-7(14-3)12-8(11-6)15-5-4-9/h4-5H2,1-3H3
InChIKeyQLAMKJCWTDJXQH-UHFFFAOYSA-N
XLogP0.56
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

s-Triazine-1,3,5-triamine, hexakis(2-choroethoxymethyl)-
CID 3057071
2,4,6-Tris(2-chloroethoxy)-1,3,5-triazine
CID 13742
6-(2-Chloroethoxy)-N-methoxy-N',N'-dimethyl-1,3,5-triazine-2,4-diamine
CID 611055
6-(2-Chloroethoxy)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-diamine
CID 618604
2-Methylthio-4-(2-chloroethoxy)-6-dimethylamino-sym-triazine
CID 12382882
2-(2-Chloroethoxy)-4,6-dimethoxy-1,3,5-triazine
CID 3638442
2-N,2-N,4-N,4-N-tetramethyl-6-(2,2,2-trichloroethoxy)-1,3,5-triazine-2,4-diamine
CID 777136
4-(2,3-Dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 598552
6-(2-Chloroethyloxy)-N,N-diethyl-N'-methoxy-N'-methyl-1,3,5-triazine-2,4-diamine
CID 606715
6-(2-Chloroethoxy)-N-cyano-N',N'-dimethyl-1,3,5-triazine-2,4-diamine
CID 609921
4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide
CID 613524
6-(2-Chloroethoxy)-N-methoxy-N,N',N'-trimethyl-1,3,5-triazine-2,4-diamine
CID 615749

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine (CID 598520) is 4-(2-chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine is COc1nc(OCCCl)nc(N(C)C)n1.
What is the InChIKey of 4-(2-chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is QLAMKJCWTDJXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O2/c1-13(2)6-10-7(14-3)12-8(11-6)15-5-4-9/h4-5H2,1-3H3.
What are the key properties of 4-(2-chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine?
4-(2-chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 232.67 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 598520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).