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

C13H12Cl2N4O2 — CID 62869284

IUPAC4-[4-chloro-6-(2-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine
SMILESClc1nc(Oc2ccccc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C13H12Cl2N4O2/c14-9-3-1-2-4-10(9)21-13-17-11(15)16-12(18-13)19-5-7-20-8-6-19/h1-4H,5-8H2
InChIKeyWECLUKPGPLULSX-UHFFFAOYSA-N
MW327.17 g/mol
LogP2.81
Rot. Bonds3

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

4-[4-chloro-6-(2-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine (PubChem CID 62869284) has the molecular formula C13H12Cl2N4O2 and a molecular weight of 327.17 g/mol. Its IUPAC name is 4-[4-chloro-6-(2-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(2-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine
PubChem CID62869284
Molecular FormulaC13H12Cl2N4O2
Molecular Weight327.17 g/mol
Exact Mass326.03
IUPAC Name4-[4-chloro-6-(2-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine
SMILESClc1nc(Oc2ccccc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C13H12Cl2N4O2/c14-9-3-1-2-4-10(9)21-13-17-11(15)16-12(18-13)19-5-7-20-8-6-19/h1-4H,5-8H2
InChIKeyWECLUKPGPLULSX-UHFFFAOYSA-N
XLogP2.81
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
4-[(2,4-Dichlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155536152
4-[(2-Chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155554036
4-[(2-Chloro-4-fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 1505203
4-[4,6-Bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine
CID 3237426
4-[(2-Chloro-4-fluorophenoxy)methyl]-6-morpholino-1,3,5-triazin-2-amine
CID 729416
4-[(2-Chlorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 729166
4-[(2-Chlorophenoxy)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 729421
2-Chloro-4-(2-chloro-4-fluorophenoxy)-6-ethoxy-1,3,5-triazine
CID 55124411
4-[4-Chloro-6-(3-fluorophenoxy)-1,3,5-triazin-2-yl]morpholine
CID 62868444

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(2-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(2-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine (CID 62869284) is 4-[4-chloro-6-(2-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(2-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(2-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine is Clc1nc(Oc2ccccc2Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-chloro-6-(2-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is WECLUKPGPLULSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O2/c14-9-3-1-2-4-10(9)21-13-17-11(15)16-12(18-13)19-5-7-20-8-6-19/h1-4H,5-8H2.
What are the key properties of 4-[4-chloro-6-(2-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine?
4-[4-chloro-6-(2-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 327.17 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(2-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 62869284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).