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

C23H30ClN5O3 — CID 2947090

IUPAC4-[4-(4-chloro-2-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESClc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C2CCCCC2)c1
InChIInChI=1S/C23H30ClN5O3/c24-18-6-7-20(19(16-18)17-4-2-1-3-5-17)32-23-26-21(28-8-12-30-13-9-28)25-22(27-23)29-10-14-31-15-11-29/h6-7,16-17H,1-5,8-15H2
InChIKeyOFFNWZLBVFKPIV-UHFFFAOYSA-N
MW459.98 g/mol
LogP4.04
Rot. Bonds5

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

4-[4-(4-chloro-2-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 2947090) has the molecular formula C23H30ClN5O3 and a molecular weight of 459.98 g/mol. Its IUPAC name is 4-[4-(4-chloro-2-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-chloro-2-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID2947090
Molecular FormulaC23H30ClN5O3
Molecular Weight459.98 g/mol
Exact Mass459.20
IUPAC Name4-[4-(4-chloro-2-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESClc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C2CCCCC2)c1
InChIInChI=1S/C23H30ClN5O3/c24-18-6-7-20(19(16-18)17-4-2-1-3-5-17)32-23-26-21(28-8-12-30-13-9-28)25-22(27-23)29-10-14-31-15-11-29/h6-7,16-17H,1-5,8-15H2
InChIKeyOFFNWZLBVFKPIV-UHFFFAOYSA-N
XLogP4.04
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-(4-chloro-2-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine with MolForge

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Related Compounds

2-(4-Cyclohexylphenoxy)-4,6-dimorpholin-4-yl-1,3,5-triazine
CID 3236599
2-(4-Chlorophenoxy)-4,6-di(morpholin-4-yl)-1,3,5-triazine
CID 1086561
2-(4-chloro-2-methylphenoxy)-N-{2-[(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)oxy]ethyl}acetamide
CID 2938997
4-[4,6-Bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine
CID 3237426
4-chloro-6-(4-chloro-2-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 15569241
4-Methyl-4-[4-(2-phenylphenoxy)-1,3,5-triazin-2-yl]morpholin-4-ium chloride
CID 69566609
4-[4-Chloro-6-(2,4-dichloro-6-methylphenoxy)-1,3,5-triazin-2-yl]morpholine;ethane
CID 143041901
4-[(4-Chloro-2-cyclohexylphenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 4919586
2-(2-Methylphenoxy)-4,6-di(morpholin-4-yl)-1,3,5-triazine
CID 27108862
4-Methyl-4-[4-(2-phenylphenoxy)-1,3,5-triazin-2-yl]morpholin-4-ium
CID 69566610
6-(4-chloro-2-methylphenoxy)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80865074
2-{4-[2-(4-Chloro-2-methylphenoxy)ethyl]piperazin-1-YL}-1,3,5-triazine
CID 91767021

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chloro-2-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(4-chloro-2-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 2947090) is 4-[4-(4-chloro-2-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-chloro-2-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-chloro-2-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is Clc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C2CCCCC2)c1.
What is the InChIKey of 4-[4-(4-chloro-2-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is OFFNWZLBVFKPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN5O3/c24-18-6-7-20(19(16-18)17-4-2-1-3-5-17)32-23-26-21(28-8-12-30-13-9-28)25-22(27-23)29-10-14-31-15-11-29/h6-7,16-17H,1-5,8-15H2.
What are the key properties of 4-[4-(4-chloro-2-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-(4-chloro-2-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 459.98 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloro-2-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 2947090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).