3-(2-ethoxyethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-one

C14H23N3O3 — CID 53201014

IUPAC3-(2-ethoxyethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-one
SMILESCCOCCn1c(N2CCOCC2)nc(CC)cc1=O
InChIInChI=1S/C14H23N3O3/c1-3-12-11-13(18)17(7-10-19-4-2)14(15-12)16-5-8-20-9-6-16/h11H,3-10H2,1-2H3
InChIKeyKUKHPVDHOBEDIE-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.68
Rot. Bonds6

About 3-(2-ethoxyethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-one

3-(2-ethoxyethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-one (PubChem CID 53201014) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-one
PubChem CID53201014
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-(2-ethoxyethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-one
SMILESCCOCCn1c(N2CCOCC2)nc(CC)cc1=O
InChIInChI=1S/C14H23N3O3/c1-3-12-11-13(18)17(7-10-19-4-2)14(15-12)16-5-8-20-9-6-16/h11H,3-10H2,1-2H3
InChIKeyKUKHPVDHOBEDIE-UHFFFAOYSA-N
XLogP0.68
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-one?
The IUPAC name of 3-(2-ethoxyethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-one (CID 53201014) is 3-(2-ethoxyethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-(2-ethoxyethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-(2-ethoxyethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-one is CCOCCn1c(N2CCOCC2)nc(CC)cc1=O.
What is the InChIKey of 3-(2-ethoxyethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-one?
The InChIKey is KUKHPVDHOBEDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-12-11-13(18)17(7-10-19-4-2)14(15-12)16-5-8-20-9-6-16/h11H,3-10H2,1-2H3.
What are the key properties of 3-(2-ethoxyethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-one?
3-(2-ethoxyethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-one has a molecular weight of 281.36 g/mol, XLogP of 0.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-one is sourced from PubChem (CID 53201014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).