(5R)-1-methyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione

C12H18N4O4 — CID 7368010

IUPAC(5R)-1-methyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)NC(=O)[C@@H](/C=N/CCN2CCOCC2)C1=O
InChIInChI=1S/C12H18N4O4/c1-15-11(18)9(10(17)14-12(15)19)8-13-2-3-16-4-6-20-7-5-16/h8-9H,2-7H2,1H3,(H,14,17,19)/b13-8+/t9-/m1/s1
InChIKeyYHZUWWUCFSWSLT-TVNQGELYSA-N
MW282.30 g/mol
LogP-1.29
Rot. Bonds4

About (5R)-1-methyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione

(5R)-1-methyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7368010) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is (5R)-1-methyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5R)-1-methyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID7368010
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name(5R)-1-methyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)NC(=O)[C@@H](/C=N/CCN2CCOCC2)C1=O
InChIInChI=1S/C12H18N4O4/c1-15-11(18)9(10(17)14-12(15)19)8-13-2-3-16-4-6-20-7-5-16/h8-9H,2-7H2,1H3,(H,14,17,19)/b13-8+/t9-/m1/s1
InChIKeyYHZUWWUCFSWSLT-TVNQGELYSA-N
XLogP-1.29
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-methyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5R)-1-methyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 7368010) is (5R)-1-methyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5R)-1-methyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5R)-1-methyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione is CN1C(=O)NC(=O)[C@@H](/C=N/CCN2CCOCC2)C1=O.
What is the InChIKey of (5R)-1-methyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is YHZUWWUCFSWSLT-TVNQGELYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-15-11(18)9(10(17)14-12(15)19)8-13-2-3-16-4-6-20-7-5-16/h8-9H,2-7H2,1H3,(H,14,17,19)/b13-8+/t9-/m1/s1.
What are the key properties of (5R)-1-methyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
(5R)-1-methyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 282.30 g/mol, XLogP of -1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-methyl-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7368010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).