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

C9H11N3O4 — CID 21177786

IUPAC5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=CN2CCOCC2)C(=O)N1
InChIInChI=1S/C9H11N3O4/c13-7-6(8(14)11-9(15)10-7)5-12-1-3-16-4-2-12/h5H,1-4H2,(H2,10,11,13,14,15)
InChIKeyRLULKMKEGYFYFB-UHFFFAOYSA-N
MW225.20 g/mol
LogP-1.43
Rot. Bonds1

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

5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione (PubChem CID 21177786) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione
PubChem CID21177786
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=CN2CCOCC2)C(=O)N1
InChIInChI=1S/C9H11N3O4/c13-7-6(8(14)11-9(15)10-7)5-12-1-3-16-4-2-12/h5H,1-4H2,(H2,10,11,13,14,15)
InChIKeyRLULKMKEGYFYFB-UHFFFAOYSA-N
XLogP-1.43
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
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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Related Compounds

5-(4-Morpholinylmethyl)-2,4-pyrimidinediol
CID 235247
5-[(2,2-dimethylmorpholin-4-yl)carbonyl]-1-methylpyrimidine-2,4(1H,3H)-dione
CID 90648187
5-(Morpholin-4-ylmethylene)-2-thioxo-1,3-dihydropyrimidine-4,6-dione
CID 942844
6-hydroxy-5-(morpholin-4-ylmethyl)-1H-pyrimidine-2,4-dione
CID 3109680
5-Methyl-6-(morpholin-4-yl)pyrimidine-2,4(1H,3H)-dione
CID 22832124
1,3-Dimethyl-5-(morpholine-4-carbonyl)pyrimidine-2,4-dione
CID 84556889
5-(morpholine-4-carbonyl)-1H-pyrimidine-2,4-dione
CID 12848804
1-(2-Methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide
CID 142894564
3-(2-Methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 162426021
1,3-Dimethyl-5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 2786012
5-(morpholin-4-ium-4-ylmethyl)-1H-pyrimidine-2,4-dione
CID 6937599
(5Z)-5-(morpholin-4-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 8990402

Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione (CID 21177786) is 5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(=CN2CCOCC2)C(=O)N1.
What is the InChIKey of 5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione?
The InChIKey is RLULKMKEGYFYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-7-6(8(14)11-9(15)10-7)5-12-1-3-16-4-2-12/h5H,1-4H2,(H2,10,11,13,14,15).
What are the key properties of 5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione?
5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione has a molecular weight of 225.20 g/mol, XLogP of -1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 21177786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).