1-(2-Hydroxyethoxy)methyl-5-bromouracil
Basic information
- CAS
78097-11-7- Standard SMILES
O=c1[nH]c(=O)n(COCCO)cc1Br- InChIKey
LXUJYJGKHLVRJG-UHFFFAOYSA-N- Molecular formula
- C7H9BrN2O4
- Average molar mass
- 265.06 g/mol
- Monoisotopic mass
- 263.97457
Names & identifiers
- Preferred name
- 1-(2-Hydroxyethoxy)methyl-5-bromouracil
- IUPAC
- 5-bromo-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
- English name
- 1-(2-Hydroxyethoxy)methyl-5-bromouracil
- Molecular formula
- C7H9BrN2O4
- Molecular weight
- 265.06
Names & synonyms
78097-11-71-(2-HYDROXYETHOXY)METHYL-5-BROMOURACIL5-bromo-1-((2-hydroxyethoxy)methyl)pyrimidine-2,4(1H,3H)-dione5-bromo-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione1-((2-Hydroxyethoxy)methyl)-5-bromouracil1-((2-OHEtO)Me)-5-BrU1-[(2-OHEtO)Me]-5-BrU5-Bromo-1-[(2-hydroxyethoxy)methyl]pyrimidine-2,4(1H,3H)-dione1-[(2-Hydroxyethoxy)methyl]-5-bromouracilCHEMBL278418SCHEMBL10457858DTXSID90228731
Show more names
2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-[(2-hydroxyethoxy)methyl]-
5-Bromo-1-(2-hydroxy-ethoxymethyl)-1H-pyrimidine-2,4-dioneAIDS003514AIDS-003514MFCD00457619AKOS015965915SY472320DB-018438H52995
Database identifiers
- CAS
78097-11-7- PubChem CID
- 453567
- DTXSID
DTXSID90228731- ChEMBL
CHEMBL278418- Nikkaji
- J644.914J
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 150 · 150-152 °C
- Density
- 1.765 · 1.765±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture
- pka
- 7.68 · 7.68±0.10(Predicted)
- Appearance
- White to off-white Solid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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