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

C13H13ClN4O2 — CID 620804

IUPAC4-(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)morpholine
SMILESClc1nc(Oc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H13ClN4O2/c14-11-15-12(18-6-8-19-9-7-18)17-13(16-11)20-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyABLIVSSXITUJSY-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.15
Rot. Bonds3

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

4-(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)morpholine (PubChem CID 620804) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 4-(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)morpholine
PubChem CID620804
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name4-(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)morpholine
SMILESClc1nc(Oc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H13ClN4O2/c14-11-15-12(18-6-8-19-9-7-18)17-13(16-11)20-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyABLIVSSXITUJSY-UHFFFAOYSA-N
XLogP2.15
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-Chloro-6-(dimethylamino)-1,3,5-triazin-2-yl](2-phenoxyethyl)cyanamide
CID 614541
2-(4-Chlorophenoxy)-4,6-di(morpholin-4-yl)-1,3,5-triazine
CID 1086561
2-(4-Morpholinyl)-4,6-diphenoxy-1,3,5-triazine
CID 1240525
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-[2-(2-methoxyphenoxy)ethyl]cyanamide
CID 3125344
4,6-Bis(ethylamino)-1,3,5-triazin-2-yl(2-phenoxyethyl)cyanamide
CID 828067
2,4-Di-4-morpholinyl-6-phenoxy-1,3,5-triazine
CID 970218
6-Chloro-N,N-dimethyl-N'-(2-phenoxy-ethyl)-[1,3,5]triazine-2,4-diamine
CID 1730397
N-sec-Butyl-6-chloro-N'-(2-phenoxy-ethyl)-[1,3,5]triazine-2,4-diamine
CID 3098376
4-(4-Methylpiperazin-1-yl)-6-(phenoxymethyl)-1,3,5-triazin-2-amine
CID 155531846
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-(2-phenoxyethyl)cyanamide
CID 694925
6-Chloro-N-isopropyl-N'-(2-phenoxy-ethyl)-[1,3,5]triazine-2,4-diamine
CID 1929027
4-[4,6-Bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine
CID 3237426

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)morpholine?
The IUPAC name of 4-(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)morpholine (CID 620804) is 4-(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)morpholine.
What is the SMILES notation for 4-(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)morpholine?
The canonical SMILES for 4-(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)morpholine is Clc1nc(Oc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)morpholine?
The InChIKey is ABLIVSSXITUJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-11-15-12(18-6-8-19-9-7-18)17-13(16-11)20-10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of 4-(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)morpholine?
4-(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)morpholine has a molecular weight of 292.73 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)morpholine is sourced from PubChem (CID 620804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).