4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine

C19H16Cl2N4O3 — CID 3237426

IUPAC4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine
SMILESClc1ccc(Oc2nc(Oc3ccc(Cl)cc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H16Cl2N4O3/c20-13-1-5-15(6-2-13)27-18-22-17(25-9-11-26-12-10-25)23-19(24-18)28-16-7-3-14(21)4-8-16/h1-8H,9-12H2
InChIKeyZBHSJSWHOONOIP-UHFFFAOYSA-N
MW419.27 g/mol
LogP4.60
Rot. Bonds5

About 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine

4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine (PubChem CID 3237426) has the molecular formula C19H16Cl2N4O3 and a molecular weight of 419.27 g/mol. Its IUPAC name is 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine
PubChem CID3237426
Molecular FormulaC19H16Cl2N4O3
Molecular Weight419.27 g/mol
Exact Mass418.06
IUPAC Name4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine
SMILESClc1ccc(Oc2nc(Oc3ccc(Cl)cc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H16Cl2N4O3/c20-13-1-5-15(6-2-13)27-18-22-17(25-9-11-26-12-10-25)23-19(24-18)28-16-7-3-14(21)4-8-16/h1-8H,9-12H2
InChIKeyZBHSJSWHOONOIP-UHFFFAOYSA-N
XLogP4.60
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.27
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-Chlorophenoxy)-4,6-di(morpholin-4-yl)-1,3,5-triazine
CID 1086561
2-(4-Morpholinyl)-4,6-diphenoxy-1,3,5-triazine
CID 1240525
2,4-Di-4-morpholinyl-6-phenoxy-1,3,5-triazine
CID 970218
2-(4-Chloro-2-cyclohexylphenoxy)-4,6-di-4-morpholinyl-1,3,5-triazine
CID 2947090
4-((4-Chlorophenoxy)methyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (14)
CID 121238070
4-[4,6-Bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]thiomorpholine
CID 2799302
2,4,6-Tris(4-chlorophenoxy)-1,3,5-triazine
CID 15971
2-(2-Fluorophenoxy)-4,6-di(morpholin-4-yl)-1,3,5-triazine
CID 1504755
4-[4-Chloro-6-(3-fluorophenoxy)-1,3,5-triazin-2-yl]morpholine
CID 62868444
4-[4-Chloro-6-(4-fluorophenoxy)-1,3,5-triazin-2-yl]morpholine
CID 62870142
4-[4-Chloro-6-(2-fluorophenoxy)-1,3,5-triazin-2-yl]morpholine
CID 62870837
4-chloro-6-(4-chloro-3-fluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 82717924

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine (CID 3237426) is 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine is Clc1ccc(Oc2nc(Oc3ccc(Cl)cc3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is ZBHSJSWHOONOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3/c20-13-1-5-15(6-2-13)27-18-22-17(25-9-11-26-12-10-25)23-19(24-18)28-16-7-3-14(21)4-8-16/h1-8H,9-12H2.
What are the key properties of 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine?
4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 419.27 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 3237426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).