4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine

C11H11ClN4O2 — CID 80863734

IUPAC4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H11ClN4O2/c1-2-17-10-14-9(13)15-11(16-10)18-8-5-3-7(12)4-6-8/h3-6H,2H2,1H3,(H2,13,14,15,16)
InChIKeyQAROFGBQZYXZOW-UHFFFAOYSA-N
MW266.69 g/mol
LogP2.30
Rot. Bonds4

About 4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine

4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 80863734) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID80863734
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H11ClN4O2/c1-2-17-10-14-9(13)15-11(16-10)18-8-5-3-7(12)4-6-8/h3-6H,2H2,1H3,(H2,13,14,15,16)
InChIKeyQAROFGBQZYXZOW-UHFFFAOYSA-N
XLogP2.30
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870272
4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80863450
4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine
CID 80879656
4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine
CID 80863190
4-ethoxy-6-(4-methylsulfonylphenoxy)-1,3,5-triazin-2-amine
CID 80874010
4-ethoxy-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
CID 80872302
2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine
CID 62859372
4-ethoxy-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80867150
4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80869998
[4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80915901
4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 104708820
2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
CID 115492564

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine (CID 80863734) is 4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(N)nc(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is QAROFGBQZYXZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-2-17-10-14-9(13)15-11(16-10)18-8-5-3-7(12)4-6-8/h3-6H,2H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine?
4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 266.69 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80863734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).