5-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione

C11H18N4O3 — CID 7461048

IUPAC5-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\CCCN(C)C)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H18N4O3/c1-7(12-5-4-6-15(2)3)8-9(16)13-11(18)14-10(8)17/h8H,4-6H2,1-3H3,(H2,13,14,16,17,18)/b12-7+
InChIKeyFHHGKMRIJRFJMQ-KPKJPENVSA-N
MW254.29 g/mol
LogP-0.62
Rot. Bonds5

About 5-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione

5-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7461048) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
PubChem CID7461048
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name5-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\CCCN(C)C)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H18N4O3/c1-7(12-5-4-6-15(2)3)8-9(16)13-11(18)14-10(8)17/h8H,4-6H2,1-3H3,(H2,13,14,16,17,18)/b12-7+
InChIKeyFHHGKMRIJRFJMQ-KPKJPENVSA-N
XLogP-0.62
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Ethanehydrazonoyl-1,3-diazinane-2,4,6-trione
CID 73334134
5-Ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 73334135
5-Ethanimidoyl-1,3-diazinane-2,4,6-trione
CID 122496373
5-Ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 173644644
5-Ethanehydrazonoyl-1,3-diazinane-2,4,6-trione
CID 173644646
[(4R)-4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]pentyl]-diethylazanium
CID 7048851
[(4S)-4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]pentyl]-diethylazanium
CID 7048853
Diethyl-[3-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]propyl]azanium
CID 7059758
5-[3-(Diethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7059759
(5S)-5-(C,N-dimethylcarbonimidoyl)-1-hexyl-1,3-diazinane-2,4,6-trione
CID 7182793
Diethyl-[2-[1-(2,4,6-trioxo-1,3-diazinan-5-yl)propylideneamino]ethyl]azanium
CID 7252758
5-[N-[2-(diethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7252759

Frequently Asked Questions

What is the IUPAC name of 5-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione (CID 7461048) is 5-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione is C/C(=N\CCCN(C)C)C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is FHHGKMRIJRFJMQ-KPKJPENVSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7(12-5-4-6-15(2)3)8-9(16)13-11(18)14-10(8)17/h8H,4-6H2,1-3H3,(H2,13,14,16,17,18)/b12-7+.
What are the key properties of 5-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
5-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 254.29 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7461048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).