1-(5-(Hydroxymethyl)oxolan-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione

HCID 5280

Notes Reactions

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Basic information

Standard SMILES: Cc1cn(C2CCC(CO)O2)c(=O)[nH]c1=O
InChIKey: XKKCQTLDIPIRQD-UHFFFAOYSA-N
Molecular formula: C10H14N2O4
Average molar mass: 226.23 g/mol
Monoisotopic mass: 226.09535693

Names & identifiers

Preferred name: 1-(5-(Hydroxymethyl)oxolan-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
IUPAC: 1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Names & synonyms

DTXSID808631701-(5-(Hydroxymethyl)oxolan-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione1-[5-(Hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dioneRefChem:1054495DTXCID402194921-(5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione892223-43-71-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione1-[5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dioneNSC617596ChemDiv3_005698MLS001195889

Show more names

CHEMBL23970SCHEMBL762579HMS1489C22HMS2866A15CCG-246841-[5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dioneAKOS015842611NSC-617596

Database identifiers

PubChem CID: 5280
DTXSID: DTXSID80863170
ChEMBL: CHEMBL23970

Properties

Computed structural properties

XLogP: -1.7
Topological polar surface area: 78.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 353

Experimental & physicochemical properties

Solubility>33.9 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

1 records

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HRID 156950As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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