4-(4-morpholin-4-yl-6-phenoxy-1,3,5-triazin-2-yl)morpholine

C17H21N5O3 — CID 970218

IUPAC4-(4-morpholin-4-yl-6-phenoxy-1,3,5-triazin-2-yl)morpholine
SMILESc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H21N5O3/c1-2-4-14(5-3-1)25-17-19-15(21-6-10-23-11-7-21)18-16(20-17)22-8-12-24-13-9-22/h1-5H,6-13H2
InChIKeyUWHAAKLNDDZKPK-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.34
Rot. Bonds4

About 4-(4-morpholin-4-yl-6-phenoxy-1,3,5-triazin-2-yl)morpholine

4-(4-morpholin-4-yl-6-phenoxy-1,3,5-triazin-2-yl)morpholine (PubChem CID 970218) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-(4-morpholin-4-yl-6-phenoxy-1,3,5-triazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-morpholin-4-yl-6-phenoxy-1,3,5-triazin-2-yl)morpholine
PubChem CID970218
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name4-(4-morpholin-4-yl-6-phenoxy-1,3,5-triazin-2-yl)morpholine
SMILESc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H21N5O3/c1-2-4-14(5-3-1)25-17-19-15(21-6-10-23-11-7-21)18-16(20-17)22-8-12-24-13-9-22/h1-5H,6-13H2
InChIKeyUWHAAKLNDDZKPK-UHFFFAOYSA-N
XLogP1.34
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-yl-6-phenoxy-1,3,5-triazin-2-yl)morpholine?
The IUPAC name of 4-(4-morpholin-4-yl-6-phenoxy-1,3,5-triazin-2-yl)morpholine (CID 970218) is 4-(4-morpholin-4-yl-6-phenoxy-1,3,5-triazin-2-yl)morpholine.
What is the SMILES notation for 4-(4-morpholin-4-yl-6-phenoxy-1,3,5-triazin-2-yl)morpholine?
The canonical SMILES for 4-(4-morpholin-4-yl-6-phenoxy-1,3,5-triazin-2-yl)morpholine is c1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-(4-morpholin-4-yl-6-phenoxy-1,3,5-triazin-2-yl)morpholine?
The InChIKey is UWHAAKLNDDZKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-2-4-14(5-3-1)25-17-19-15(21-6-10-23-11-7-21)18-16(20-17)22-8-12-24-13-9-22/h1-5H,6-13H2.
What are the key properties of 4-(4-morpholin-4-yl-6-phenoxy-1,3,5-triazin-2-yl)morpholine?
4-(4-morpholin-4-yl-6-phenoxy-1,3,5-triazin-2-yl)morpholine has a molecular weight of 343.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-yl-6-phenoxy-1,3,5-triazin-2-yl)morpholine is sourced from PubChem (CID 970218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).