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

C11H18N4O3 — CID 7367994

IUPAC5-[2-(dimethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN(C)CC/N=C/C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C11H18N4O3/c1-13(2)6-5-12-7-8-9(16)14(3)11(18)15(4)10(8)17/h7-8H,5-6H2,1-4H3/b12-7+
InChIKeyBRCBIAXWRDZECW-KPKJPENVSA-N
MW254.29 g/mol
LogP-0.71
Rot. Bonds4

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

5-[2-(dimethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 7367994) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID7367994
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name5-[2-(dimethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN(C)CC/N=C/C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C11H18N4O3/c1-13(2)6-5-12-7-8-9(16)14(3)11(18)15(4)10(8)17/h7-8H,5-6H2,1-4H3/b12-7+
InChIKeyBRCBIAXWRDZECW-KPKJPENVSA-N
XLogP-0.71
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 73334133
1,3-dimethyl-5-[(E)-5H-tetrazol-5-yliminomethyl]-1,3-diazinane-2,4,6-trione
CID 76328269
1,3-dimethyl-5-(5H-tetrazol-5-yliminomethyl)-1,3-diazinane-2,4,6-trione
CID 172024333
1,3-Dimethyl-5-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7001000
7,15-Dimethyl-1,5,13-triaza-9-azoniatricyclo[11.3.1.15,9]octadec-8-ene-6,16,17,18-tetrone
CID 123309118
5-Methanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 173575720
5-[[(2S)-butan-2-yl]iminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 6944504
5-[2-(Diethylamino)ethyliminomethyl]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6995290
2-[[(5R)-1-butyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneazaniumyl]ethyl-diethylazanium
CID 7023460
(5R)-1-butyl-5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7023461
5-(Butyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7029494
1,3-Dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7029525

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[2-(dimethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 7367994) is 5-[2-(dimethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[2-(dimethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[2-(dimethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN(C)CC/N=C/C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5-[2-(dimethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is BRCBIAXWRDZECW-KPKJPENVSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-13(2)6-5-12-7-8-9(16)14(3)11(18)15(4)10(8)17/h7-8H,5-6H2,1-4H3/b12-7+.
What are the key properties of 5-[2-(dimethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[2-(dimethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 254.29 g/mol, XLogP of -0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7367994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).