4-[4-methyl-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine

C14H13Cl3N4O2 — CID 22640342

IUPAC4-[4-methyl-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine
SMILESCc1nc(Oc2c(Cl)cc(Cl)cc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C14H13Cl3N4O2/c1-8-18-13(21-2-4-22-5-3-21)20-14(19-8)23-12-10(16)6-9(15)7-11(12)17/h6-7H,2-5H2,1H3
InChIKeyULIQALOIKAKIRM-UHFFFAOYSA-N
MW375.64 g/mol
LogP3.77
Rot. Bonds3

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

4-[4-methyl-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine (PubChem CID 22640342) has the molecular formula C14H13Cl3N4O2 and a molecular weight of 375.64 g/mol. Its IUPAC name is 4-[4-methyl-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-methyl-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine
PubChem CID22640342
Molecular FormulaC14H13Cl3N4O2
Molecular Weight375.64 g/mol
Exact Mass374.01
IUPAC Name4-[4-methyl-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine
SMILESCc1nc(Oc2c(Cl)cc(Cl)cc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C14H13Cl3N4O2/c1-8-18-13(21-2-4-22-5-3-21)20-14(19-8)23-12-10(16)6-9(15)7-11(12)17/h6-7H,2-5H2,1H3
InChIKeyULIQALOIKAKIRM-UHFFFAOYSA-N
XLogP3.77
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.64
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(2-Chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155519102
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-[1-(2,5-Dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 164608896
4-[3-(2,4-Dichlorophenoxy)propyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 164622318
4-[(2-Chloro-4-fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 1505203
4-((4-Chlorophenoxy)methyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (14)
CID 121238070
2,4-Bis(4-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazine
CID 3237426
6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 17468087
4-[(2-Chloro-4-fluorophenoxy)methyl]-6-(morpholin-4-yl)-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

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-methyl-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine (CID 22640342) is 4-[4-methyl-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-methyl-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-methyl-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine is Cc1nc(Oc2c(Cl)cc(Cl)cc2Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-methyl-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is ULIQALOIKAKIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N4O2/c1-8-18-13(21-2-4-22-5-3-21)20-14(19-8)23-12-10(16)6-9(15)7-11(12)17/h6-7H,2-5H2,1H3.
What are the key properties of 4-[4-methyl-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine?
4-[4-methyl-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 375.64 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 22640342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).