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

C9H13ClN4O2 — CID 686749

IUPAC4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)morpholine
SMILESCCOc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C9H13ClN4O2/c1-2-16-9-12-7(10)11-8(13-9)14-3-5-15-6-4-14/h2-6H2,1H3
InChIKeyIDKDDYOUZCKXHX-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.76
Rot. Bonds3

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

4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)morpholine (PubChem CID 686749) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)morpholine
PubChem CID686749
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)morpholine
SMILESCCOc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C9H13ClN4O2/c1-2-16-9-12-7(10)11-8(13-9)14-3-5-15-6-4-14/h2-6H2,1H3
InChIKeyIDKDDYOUZCKXHX-UHFFFAOYSA-N
XLogP0.76
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Acetonitrile, ((4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)oxy)-
CID 644599
2,4-Dichloro-6-morpholino-1,3,5-triazine
CID 81076
2-Ethoxy-4,6-dimorpholin-4-yl-1,3,5-triazine
CID 703119
N-[4-[hydroxy(methyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 44186462
4-Methoxy-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 709353
6-(4-Morpholinyl)-1,3,5-triazine-2,4-diamine
CID 96906
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
CID 2734059
2-Chloro-4-methoxy-6-(morpholin-4-yl)-1,3,5-triazine
CID 686256
4-methoxy-N-methyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 976569
(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-methylcyanamide
CID 714956
N,N,N',N'-tetramethyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 1508119
6-Ethoxy-4-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 729542

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)morpholine?
The IUPAC name of 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)morpholine (CID 686749) is 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)morpholine.
What is the SMILES notation for 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)morpholine?
The canonical SMILES for 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)morpholine is CCOc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)morpholine?
The InChIKey is IDKDDYOUZCKXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-2-16-9-12-7(10)11-8(13-9)14-3-5-15-6-4-14/h2-6H2,1H3.
What are the key properties of 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)morpholine?
4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)morpholine has a molecular weight of 244.68 g/mol, XLogP of 0.76, 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-ethoxy-1,3,5-triazin-2-yl)morpholine is sourced from PubChem (CID 686749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).