5-[[4-(Dimethylamino)phenyl]methylene]-1-methylbarbituric acid

HCID 677705

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Basic information

CAS: 94159-46-3
Standard SMILES: CN1C(=O)NC(=O)C(=Cc2ccc(N(C)C)cc2)C1=O
InChIKey: GFUZHTMFTUBOPD-UHFFFAOYSA-N
Molecular formula: C14H15N3O3
Average molar mass: 273.29 g/mol
Monoisotopic mass: 273.11134135

Names & identifiers

Preferred name: 5-[[4-(Dimethylamino)phenyl]methylene]-1-methylbarbituric acid
IUPAC: 5-[[4-(dimethylamino)phenyl]methylidene]-1-methyl-1,3-diazinane-2,4,6-trione

Names & synonyms

94159-46-35-[[4-(DIMETHYLAMINO)PHENYL]METHYLENE]-1-METHYLBARBITURIC ACID5-[[4-(dimethylamino)phenyl]methylidene]-1-methyl-1,3-diazinane-2,4,6-trione5-{[4-(DIMETHYLAMINO)PHENYL]METHYLIDENE}-1-METHYL-1,3-DIAZINANE-2,4,6-TRIONEGFUZHTMFTUBOPD-UHFFFAOYSA-NDTXSID101135114NS000665555-[[4-(Dimethylamino)phenyl]methylene]-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione

Database identifiers

CAS: 94159-46-3
PubChem CID: 677705
DTXSID: DTXSID101135114
EC Number: 303-226-0

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 69.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 462

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