5-(Dimethylamino)-3-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione

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Basic information

CAS: 92440-69-2
Standard SMILES: CCOc1ccc(N2C(=O)NC(=O)C(N(C)C)C2=O)cc1
InChIKey: ZKALQLMVXAIBID-UHFFFAOYSA-N
Molecular formula: C14H17N3O4
Average molar mass: 291.3 g/mol
Monoisotopic mass: 291.12190603

Names & identifiers

Preferred name: 5-(Dimethylamino)-3-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
IUPAC: 5-(dimethylamino)-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione

Names & synonyms

92440-69-2DTXSID409191675-(Dimethylamino)-3-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dioneRefChem:1072537DTXCID701348103BRN 09301985-(Dimethylamino)-1-(p-ethoxyphenyl)barbituric acidBARBITURIC ACID, 5-(DIMETHYLAMINO)-1-(p-ETHOXYPHENYL)-

Database identifiers

CAS: 92440-69-2
PubChem CID: 56418
DTXSID: DTXSID40919167
Nikkaji: J62.445D

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 79 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 430

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Compound notes

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