5-[[4-[(2-hydroxy-5-methylphenyl)methyl-methylamino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

C20H19N3O4 — CID 154931959

IUPAC5-[[4-[(2-hydroxy-5-methylphenyl)methyl-methylamino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(O)c(CN(C)c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)c1
InChIInChI=1S/C20H19N3O4/c1-12-3-8-17(24)14(9-12)11-23(2)15-6-4-13(5-7-15)10-16-18(25)21-20(27)22-19(16)26/h3-10,24H,11H2,1-2H3,(H2,21,22,25,26,27)
InChIKeyOYEOJDQONREFKL-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.09
Rot. Bonds4

About 5-[[4-[(2-hydroxy-5-methylphenyl)methyl-methylamino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

5-[[4-[(2-hydroxy-5-methylphenyl)methyl-methylamino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 154931959) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-[[4-[(2-hydroxy-5-methylphenyl)methyl-methylamino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[[4-[(2-hydroxy-5-methylphenyl)methyl-methylamino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID154931959
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name5-[[4-[(2-hydroxy-5-methylphenyl)methyl-methylamino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(O)c(CN(C)c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)c1
InChIInChI=1S/C20H19N3O4/c1-12-3-8-17(24)14(9-12)11-23(2)15-6-4-13(5-7-15)10-16-18(25)21-20(27)22-19(16)26/h3-10,24H,11H2,1-2H3,(H2,21,22,25,26,27)
InChIKeyOYEOJDQONREFKL-UHFFFAOYSA-N
XLogP2.09
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-hydroxy-5-methylphenyl)methyl-methylamino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[[4-[(2-hydroxy-5-methylphenyl)methyl-methylamino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione (CID 154931959) is 5-[[4-[(2-hydroxy-5-methylphenyl)methyl-methylamino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[[4-[(2-hydroxy-5-methylphenyl)methyl-methylamino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[[4-[(2-hydroxy-5-methylphenyl)methyl-methylamino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione is Cc1ccc(O)c(CN(C)c2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)c1.
What is the InChIKey of 5-[[4-[(2-hydroxy-5-methylphenyl)methyl-methylamino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is OYEOJDQONREFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-12-3-8-17(24)14(9-12)11-23(2)15-6-4-13(5-7-15)10-16-18(25)21-20(27)22-19(16)26/h3-10,24H,11H2,1-2H3,(H2,21,22,25,26,27).
What are the key properties of 5-[[4-[(2-hydroxy-5-methylphenyl)methyl-methylamino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
5-[[4-[(2-hydroxy-5-methylphenyl)methyl-methylamino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 365.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-hydroxy-5-methylphenyl)methyl-methylamino]phenyl]methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 154931959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).