4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine

C11H11ClN4O2 — CID 80863190

IUPAC4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine
SMILESCCOc1ccc(Oc2nc(N)nc(Cl)n2)cc1
InChIInChI=1S/C11H11ClN4O2/c1-2-17-7-3-5-8(6-4-7)18-11-15-9(12)14-10(13)16-11/h3-6H,2H2,1H3,(H2,13,14,15,16)
InChIKeyUGRGHRPMMIDARN-UHFFFAOYSA-N
MW266.69 g/mol
LogP2.30
Rot. Bonds4

About 4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine

4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine (PubChem CID 80863190) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine
PubChem CID80863190
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine
SMILESCCOc1ccc(Oc2nc(N)nc(Cl)n2)cc1
InChIInChI=1S/C11H11ClN4O2/c1-2-17-7-3-5-8(6-4-7)18-11-15-9(12)14-10(13)16-11/h3-6H,2H2,1H3,(H2,13,14,15,16)
InChIKeyUGRGHRPMMIDARN-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine (CID 80863190) is 4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine is CCOc1ccc(Oc2nc(N)nc(Cl)n2)cc1.
What is the InChIKey of 4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is UGRGHRPMMIDARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-2-17-7-3-5-8(6-4-7)18-11-15-9(12)14-10(13)16-11/h3-6H,2H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine?
4-chloro-6-(4-ethoxyphenoxy)-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-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80863190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).