Basic information
- CAS
117068-45-8- Standard SMILES
Cc1cn(C(CCN=[N+]=[N-])OCCO)c(=O)[nH]c1=O- InChIKey
JQKQBIKLDBWPBY-UHFFFAOYSA-N- Molecular formula
- C10H15N5O4
- Average molar mass
- 269.26 g/mol
- Monoisotopic mass
- 269.11240398
Overview
structure given in first source; essentially inactive against HIV-1, & herpes simplex virus I & II
Names & identifiers
- Preferred name
- 1-(1-(2-Hydroxyethoxy)-3-azidopropyl)thymine
- IUPAC
- 1-[3-azido-1-(2-hydroxyethoxy)propyl]-5-methylpyrimidine-2,4-dione
- English name
- 1-(1-(2-hydroxyethoxy)-3-azidopropyl)thymine
- Molecular weight
- 0
Names & synonyms
HEAPT117068-45-81-(1-(2-Hydroxyethoxy)-3-azidopropyl)thymineRefChem:73889CHEMBL165136SCHEMBL29367079DTXSID20922275(R,S)-1-[1-(2-Hydroxyethoxy)-3-azidopropyl]thymine1-[3-azido-1-(2-hydroxyethoxy)propyl]-5-methyl-pyrimidine-2,4-dione1-[3-Azido-1-(2-hydroxyethoxy)propyl]-4-hydroxy-5-methylpyrimidin-2(1H)-one2,4(1H,3H)-Pyrimidinedione, 1-(3-azido-1-(2-hydroxyethoxy)propyl)-5-methyl-, (+-)-127964-20-9
Database identifiers
- CAS
117068-45-8- PubChem CID
- 72256
- DTXSID
DTXSID20922275- ChEMBL
CHEMBL165136
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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