5-((2-Ethoxyphenyl)amino)-6-hydroxypyrimidin-4(3H)-one

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Basic information

CAS: 6972-25-4
Standard SMILES: CCOc1ccccc1Nc1c(O)nc[nH]c1=O
InChIKey: FBVRUFRHYUZJRD-UHFFFAOYSA-N
Molecular formula: C12H13N3O3
Average molar mass: 247.25 g/mol
Monoisotopic mass: 247.09569129

Names & identifiers

Preferred name: 5-((2-Ethoxyphenyl)amino)-6-hydroxypyrimidin-4(3H)-one
IUPAC: 5-(2-ethoxyanilino)-4-hydroxy-1H-pyrimidin-6-one

Names & synonyms

5-((2-Ethoxyphenyl)amino)-6-hydroxypyrimidin-4(3H)-one6972-25-4NSC619155-((2-Ethoxyphenyl)amino)-6-hydroxypyrimidin-4(1H)-one5-[(2-ethoxyphenyl)amino]-6-hydroxypyrimidin-4(3h)-oneDTXSID40289559NSC-61915SB604215-(2-Ethoxyanilino)-6-hydroxypyrimidin-4(3H)-one

Database identifiers

CAS: 6972-25-4
PubChem CID: 247429
DTXSID: DTXSID40289559

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 83 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 379

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