5-[(2-methoxy-3,5-dimethylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

C14H14N2O4 — CID 50886258

IUPAC5-[(2-methoxy-3,5-dimethylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCOc1c(C)cc(C)cc1C=C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C14H14N2O4/c1-7-4-8(2)11(20-3)9(5-7)6-10-12(17)15-14(19)16-13(10)18/h4-6H,1-3H3,(H2,15,16,17,18,19)
InChIKeySBXMOEMMFDDVKW-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.06
Rot. Bonds2

About 5-[(2-methoxy-3,5-dimethylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

5-[(2-methoxy-3,5-dimethylphenyl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 50886258) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[(2-methoxy-3,5-dimethylphenyl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(2-methoxy-3,5-dimethylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID50886258
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name5-[(2-methoxy-3,5-dimethylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
SMILESCOc1c(C)cc(C)cc1C=C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C14H14N2O4/c1-7-4-8(2)11(20-3)9(5-7)6-10-12(17)15-14(19)16-13(10)18/h4-6H,1-3H3,(H2,15,16,17,18,19)
InChIKeySBXMOEMMFDDVKW-UHFFFAOYSA-N
XLogP1.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

6-[2-(2-methoxy-3,5-dimethylphenyl)ethenyl]-4,4-dimethyl-1,3-dihydropyrimidin-2-one
CID 165341476
5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2299862
(2-methoxy-3,5-dimethylphenyl)methanimine
CID 176965340
CID 88905025
CID 88905025
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
[5-bromo-2-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl] acetate
CID 1220912
(E)-3-(2-methoxy-3,5-dimethylphenyl)-2-methylprop-2-enoic acid
CID 116866127
5-[(2-methoxy-4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 126241866
5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 5335495
2-sulfanylidene-5-[(4,6,8-trimethylazulen-1-yl)methylidene]-1,3-diazinane-4,6-dione
CID 132515921
3-[(E)-[(3E)-3-[(3-formyl-2-methoxy-5-methylphenyl)methylidene]-2-oxocyclohexylidene]methyl]-2-methoxy-5-methylbenzaldehyde
CID 139194689
(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-1-(2,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126145896

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-3,5-dimethylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(2-methoxy-3,5-dimethylphenyl)methylidene]-1,3-diazinane-2,4,6-trione (CID 50886258) is 5-[(2-methoxy-3,5-dimethylphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(2-methoxy-3,5-dimethylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(2-methoxy-3,5-dimethylphenyl)methylidene]-1,3-diazinane-2,4,6-trione is COc1c(C)cc(C)cc1C=C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[(2-methoxy-3,5-dimethylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is SBXMOEMMFDDVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-7-4-8(2)11(20-3)9(5-7)6-10-12(17)15-14(19)16-13(10)18/h4-6H,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 5-[(2-methoxy-3,5-dimethylphenyl)methylidene]-1,3-diazinane-2,4,6-trione?
5-[(2-methoxy-3,5-dimethylphenyl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 274.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-3,5-dimethylphenyl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 50886258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).