5-[3-(diethylamino)propyliminomethyl]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione

C17H24N4O4 — CID 7562273

IUPAC5-[3-(diethylamino)propyliminomethyl]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)CCC/N=C/C1C(=O)NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C17H24N4O4/c1-3-20(4-2)9-6-8-18-11-14-15(22)19-17(24)21(16(14)23)12-13-7-5-10-25-13/h5,7,10-11,14H,3-4,6,8-9,12H2,1-2H3,(H,19,22,24)/b18-11+
InChIKeyNFILLWVBHQJDJS-WOJGMQOQSA-N
MW348.40 g/mol
LogP1.28
Rot. Bonds9

About 5-[3-(diethylamino)propyliminomethyl]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione

5-[3-(diethylamino)propyliminomethyl]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7562273) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-[3-(diethylamino)propyliminomethyl]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[3-(diethylamino)propyliminomethyl]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
PubChem CID7562273
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name5-[3-(diethylamino)propyliminomethyl]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)CCC/N=C/C1C(=O)NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C17H24N4O4/c1-3-20(4-2)9-6-8-18-11-14-15(22)19-17(24)21(16(14)23)12-13-7-5-10-25-13/h5,7,10-11,14H,3-4,6,8-9,12H2,1-2H3,(H,19,22,24)/b18-11+
InChIKeyNFILLWVBHQJDJS-WOJGMQOQSA-N
XLogP1.28
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[2-(diethylamino)ethyliminomethyl]-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 7461091
1-benzyl-5-(ethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7048908
5-[2-(diethylamino)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione
CID 7368037
5-(furan-2-ylmethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7317448
1-(2-chlorophenyl)-5-[3-(dimethylamino)propyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7368322
5-(butyliminomethyl)-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 7029545
trimethyl-[2-[[2,4,6-trioxo-1-(2-phenylethyl)-1,3-diazinan-5-yl]methylideneamino]ethyl]azanium
CID 7696720
5-[[(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]iminomethyl]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7639855
5-[[(3R)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]iminomethyl]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7639853
5-[3-(dimethylamino)propyliminomethyl]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
CID 6996719
1-benzyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461133
(5R)-1-[(4-fluorophenyl)methyl]-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7509804

Frequently Asked Questions

What is the IUPAC name of 5-[3-(diethylamino)propyliminomethyl]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[3-(diethylamino)propyliminomethyl]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione (CID 7562273) is 5-[3-(diethylamino)propyliminomethyl]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[3-(diethylamino)propyliminomethyl]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[3-(diethylamino)propyliminomethyl]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione is CCN(CC)CCC/N=C/C1C(=O)NC(=O)N(Cc2ccco2)C1=O.
What is the InChIKey of 5-[3-(diethylamino)propyliminomethyl]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is NFILLWVBHQJDJS-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-3-20(4-2)9-6-8-18-11-14-15(22)19-17(24)21(16(14)23)12-13-7-5-10-25-13/h5,7,10-11,14H,3-4,6,8-9,12H2,1-2H3,(H,19,22,24)/b18-11+.
What are the key properties of 5-[3-(diethylamino)propyliminomethyl]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione?
5-[3-(diethylamino)propyliminomethyl]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 348.40 g/mol, XLogP of 1.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylamino)propyliminomethyl]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7562273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).