5-[1-(furan-2-ylmethyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione

C16H12F3N3O4 — CID 1312315

IUPAC5-[1-(furan-2-ylmethyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione
SMILESCC1=CC(=C2C(=O)NC(=O)NC2=O)C=C(C(F)(F)F)N1Cc1ccco1
InChIInChI=1S/C16H12F3N3O4/c1-8-5-9(12-13(23)20-15(25)21-14(12)24)6-11(16(17,18)19)22(8)7-10-3-2-4-26-10/h2-6H,7H2,1H3,(H2,20,21,23,24,25)
InChIKeyCBFIWBZVJPNXQY-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.11
Rot. Bonds2

About 5-[1-(furan-2-ylmethyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione

5-[1-(furan-2-ylmethyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 1312315) has the molecular formula C16H12F3N3O4 and a molecular weight of 367.28 g/mol. Its IUPAC name is 5-[1-(furan-2-ylmethyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[1-(furan-2-ylmethyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione
PubChem CID1312315
Molecular FormulaC16H12F3N3O4
Molecular Weight367.28 g/mol
Exact Mass367.08
IUPAC Name5-[1-(furan-2-ylmethyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione
SMILESCC1=CC(=C2C(=O)NC(=O)NC2=O)C=C(C(F)(F)F)N1Cc1ccco1
InChIInChI=1S/C16H12F3N3O4/c1-8-5-9(12-13(23)20-15(25)21-14(12)24)6-11(16(17,18)19)22(8)7-10-3-2-4-26-10/h2-6H,7H2,1H3,(H2,20,21,23,24,25)
InChIKeyCBFIWBZVJPNXQY-UHFFFAOYSA-N
XLogP2.11
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 5-[1-(furan-2-ylmethyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(furan-2-ylmethyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 71671143
5-[1-(2-hydroxyethyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione
CID 2244016
5-[2-methyl-1-[(3-methyl-4-pyridinyl)methyl]-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione
CID 121000079
(5R)-5-(4-fluorophenyl)-3-(furan-2-ylmethyl)-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 7378893
(5Z)-3-(furan-2-ylmethyl)-5-(furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 26493283
1-(furan-2-ylmethyl)-5-(pyrrolidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 3918951
(5S)-3-(furan-2-ylmethyl)-5-[(6-methyl-2-pyridinyl)amino]-2-phenyl-5-(trifluoromethyl)imidazol-4-one
CID 29072072
1-(furan-2-ylmethyl)-3-(2-hydroxyethylsulfanyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572160
3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 557397
2-(furan-2-ylmethyl)-4,5,6,7-tetraiodoisoindole-1,3-dione
CID 13211644
N-tert-butyl-2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 9374605
(3aR,5S,7aS)-2-(furan-2-ylmethyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2179104

Frequently Asked Questions

What is the IUPAC name of 5-[1-(furan-2-ylmethyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[1-(furan-2-ylmethyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione (CID 1312315) is 5-[1-(furan-2-ylmethyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[1-(furan-2-ylmethyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[1-(furan-2-ylmethyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione is CC1=CC(=C2C(=O)NC(=O)NC2=O)C=C(C(F)(F)F)N1Cc1ccco1.
What is the InChIKey of 5-[1-(furan-2-ylmethyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is CBFIWBZVJPNXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O4/c1-8-5-9(12-13(23)20-15(25)21-14(12)24)6-11(16(17,18)19)22(8)7-10-3-2-4-26-10/h2-6H,7H2,1H3,(H2,20,21,23,24,25).
What are the key properties of 5-[1-(furan-2-ylmethyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione?
5-[1-(furan-2-ylmethyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 367.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(furan-2-ylmethyl)-2-methyl-6-(trifluoromethyl)-4-pyridinylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 1312315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).