5-[2-(dimethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

C12H18N4O3 — CID 7367804

IUPAC5-[2-(dimethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)NC(=O)C(/C=N/CCN(C)C)C1=O
InChIInChI=1S/C12H18N4O3/c1-4-6-16-11(18)9(10(17)14-12(16)19)8-13-5-7-15(2)3/h4,8-9H,1,5-7H2,2-3H3,(H,14,17,19)/b13-8+
InChIKeyLXDADMZQZSKXSO-MDWZMJQESA-N
MW266.30 g/mol
LogP-0.50
Rot. Bonds6

About 5-[2-(dimethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

5-[2-(dimethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione (PubChem CID 7367804) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
PubChem CID7367804
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-[2-(dimethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
SMILESC=CCN1C(=O)NC(=O)C(/C=N/CCN(C)C)C1=O
InChIInChI=1S/C12H18N4O3/c1-4-6-16-11(18)9(10(17)14-12(16)19)8-13-5-7-15(2)3/h4,8-9H,1,5-7H2,2-3H3,(H,14,17,19)/b13-8+
InChIKeyLXDADMZQZSKXSO-MDWZMJQESA-N
XLogP-0.50
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[2-(dimethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione (CID 7367804) is 5-[2-(dimethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[2-(dimethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[2-(dimethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione is C=CCN1C(=O)NC(=O)C(/C=N/CCN(C)C)C1=O.
What is the InChIKey of 5-[2-(dimethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
The InChIKey is LXDADMZQZSKXSO-MDWZMJQESA-N. The full InChI is InChI=1S/C12H18N4O3/c1-4-6-16-11(18)9(10(17)14-12(16)19)8-13-5-7-15(2)3/h4,8-9H,1,5-7H2,2-3H3,(H,14,17,19)/b13-8+.
What are the key properties of 5-[2-(dimethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione?
5-[2-(dimethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione has a molecular weight of 266.30 g/mol, XLogP of -0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7367804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).