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

C17H20ClN5O3 — CID 17388308

IUPAC4-[4-(2-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESClc1ccccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H20ClN5O3/c18-13-3-1-2-4-14(13)26-17-20-15(22-5-9-24-10-6-22)19-16(21-17)23-7-11-25-12-8-23/h1-4H,5-12H2
InChIKeyQAVUIPOWIOODAB-UHFFFAOYSA-N
MW377.83 g/mol
LogP1.99
Rot. Bonds4

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

4-[4-(2-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 17388308) has the molecular formula C17H20ClN5O3 and a molecular weight of 377.83 g/mol. Its IUPAC name is 4-[4-(2-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID17388308
Molecular FormulaC17H20ClN5O3
Molecular Weight377.83 g/mol
Exact Mass377.13
IUPAC Name4-[4-(2-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESClc1ccccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H20ClN5O3/c18-13-3-1-2-4-14(13)26-17-20-15(22-5-9-24-10-6-22)19-16(21-17)23-7-11-25-12-8-23/h1-4H,5-12H2
InChIKeyQAVUIPOWIOODAB-UHFFFAOYSA-N
XLogP1.99
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 17388308) is 4-[4-(2-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is Clc1ccccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(2-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is QAVUIPOWIOODAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O3/c18-13-3-1-2-4-14(13)26-17-20-15(22-5-9-24-10-6-22)19-16(21-17)23-7-11-25-12-8-23/h1-4H,5-12H2.
What are the key properties of 4-[4-(2-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-(2-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 377.83 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 17388308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).