1,3-dimethyl-5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione

C11H15N3O4 — CID 2786012

IUPAC1,3-dimethyl-5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=CN2CCOCC2)C(=O)N(C)C1=O
InChIInChI=1S/C11H15N3O4/c1-12-9(15)8(10(16)13(2)11(12)17)7-14-3-5-18-6-4-14/h7H,3-6H2,1-2H3
InChIKeyUFFUUVFKRNDRSS-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.75
Rot. Bonds1

About 1,3-dimethyl-5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione (PubChem CID 2786012) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1,3-dimethyl-5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione
PubChem CID2786012
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1,3-dimethyl-5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=CN2CCOCC2)C(=O)N(C)C1=O
InChIInChI=1S/C11H15N3O4/c1-12-9(15)8(10(16)13(2)11(12)17)7-14-3-5-18-6-4-14/h7H,3-6H2,1-2H3
InChIKeyUFFUUVFKRNDRSS-UHFFFAOYSA-N
XLogP-0.75
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione (CID 2786012) is 1,3-dimethyl-5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione is CN1C(=O)C(=CN2CCOCC2)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The InChIKey is UFFUUVFKRNDRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-12-9(15)8(10(16)13(2)11(12)17)7-14-3-5-18-6-4-14/h7H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione has a molecular weight of 253.26 g/mol, XLogP of -0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2786012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).