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

C23H31N5O3 — CID 3236599

IUPAC4-[4-(4-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESc1cc(C2CCCCC2)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C23H31N5O3/c1-2-4-18(5-3-1)19-6-8-20(9-7-19)31-23-25-21(27-10-14-29-15-11-27)24-22(26-23)28-12-16-30-17-13-28/h6-9,18H,1-5,10-17H2
InChIKeyMNVZOHVARDDHIX-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.38
Rot. Bonds5

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

4-[4-(4-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 3236599) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-[4-(4-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID3236599
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name4-[4-(4-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESc1cc(C2CCCCC2)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C23H31N5O3/c1-2-4-18(5-3-1)19-6-8-20(9-7-19)31-23-25-21(27-10-14-29-15-11-27)24-22(26-23)28-12-16-30-17-13-28/h6-9,18H,1-5,10-17H2
InChIKeyMNVZOHVARDDHIX-UHFFFAOYSA-N
XLogP3.38
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

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-[(4,6-Di-4-morpholinyl-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 1086559
2-(4-Chloro-2-cyclohexylphenoxy)-4,6-di-4-morpholinyl-1,3,5-triazine
CID 2947090
2,4-Di-4-morpholinyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine
CID 1263110
2-(2-Fluorophenoxy)-4,6-di(morpholin-4-yl)-1,3,5-triazine
CID 1504755
4-Benzyl-4-(4,6-diphenoxy-1,3,5-triazin-2-yl)morpholin-4-ium
CID 101570844
4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 117085360
4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 117088808
4-(4,6-Diphenoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium
CID 18420002
4-(4,6-Diphenoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium
CID 18420018
4-(4,6-Diphenoxy-1,3,5-triazin-2-yl)-4-(2-methylpropyl)morpholin-4-ium chloride
CID 22590366

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(4-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 3236599) is 4-[4-(4-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is c1cc(C2CCCCC2)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(4-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is MNVZOHVARDDHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-2-4-18(5-3-1)19-6-8-20(9-7-19)31-23-25-21(27-10-14-29-15-11-27)24-22(26-23)28-12-16-30-17-13-28/h6-9,18H,1-5,10-17H2.
What are the key properties of 4-[4-(4-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-(4-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 425.53 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyclohexylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 3236599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).