1-(3,5-Dihydroxypent-1-yl)uracil
Basic information
- CAS
69895-61-0- Standard SMILES
O=c1ccn(CCC(O)CCO)c(=O)[nH]1- InChIKey
IJOKNRPQDXPCBX-UHFFFAOYSA-N- Molecular formula
- C9H14N2O4
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.09535693
Names & identifiers
- Preferred name
- 1-(3,5-Dihydroxypent-1-yl)uracil
- IUPAC
- 1-(3,5-dihydroxypentyl)pyrimidine-2,4-dione
Names & synonyms
3,5-DiOHPentylUracil1-(3,5-Dihydroxypent-1-yl)uracil69895-61-02,4(1H,3H)-Pyrimidinedione, 1-(3,5-dihydroxypentyl)-, (1)-1-(3,5-dihydroxypentyl)pyrimidine-2,4-dioneCHEMBL3250917SCHEMBL11474759DTXSID809901721-(3,5-Dihydroxypentyl)-4-hydroxypyrimidin-2(1H)-one
Database identifiers
- CAS
69895-61-0- PubChem CID
- 452402
- DTXSID
DTXSID80990172- ChEMBL
CHEMBL3250917- Nikkaji
- J341.780H
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 277
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Compound notes
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