1-[4-Hydroxy-3-(hydroxymethyl)-1-butyl]-uracil

HCID 289650

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=c1ccn(CCC(CO)CO)c(=O)[nH]1
InChIKey: GKOMRURXWOGEBX-UHFFFAOYSA-N
Molecular formula: C9H14N2O4
Average molar mass: 214.22 g/mol
Monoisotopic mass: 214.09535693

Names & identifiers

Preferred name: 1-[4-Hydroxy-3-(hydroxymethyl)-1-butyl]-uracil
IUPAC: 1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione

Names & synonyms

NSC151835SCHEMBL912640GKOMRURXWOGEBX-UHFFFAOYSA-NNSC-1518351-[4-Hydroxy-3-(hydroxymethyl)-1-butyl]-uracil1-(4-Hydroxy-3-hydroxymethylbutyl)-1H-pyrimidine-2,4-dione

Database identifiers

PubChem CID: 289650

Properties

Computed structural properties

XLogP: -1.5
Topological polar surface area: 89.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 273

Related reactions

11 records

New reaction record

HRID 732921As productuspto-grants-2009_09

HRID 732922As reactantuspto-grants-2009_09

HRID 805135As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 908528As productuspto-grants-2011_09

HRID 908529As reactantuspto-grants-2011_09

HRID 937272As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1151809As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1516770As productuspto-grants-2012_07

Compound notes

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