[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylate
Basic information
- CAS
556047-04-2- Standard SMILES
Cn1c(N)c(C(=O)COC(=O)c2ccc3ccccc3c2)c(=O)n(C)c1=O- InChIKey
XPKDJNPCLDTGTJ-UHFFFAOYSA-N- Molecular formula
- C19H17N3O5
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.11682065
Names & identifiers
- Preferred name
- [2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylate
- IUPAC
- [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylate
Names & synonyms
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylateMLS002245575CHEMBL1882165DTXSID201324992HMS3094L19AKOS002473044556047-04-2SMR001309224AB00947028-03Z183187712-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-oxoethyl naphthalene-2-carboxylate
Database identifiers
- CAS
556047-04-2- PubChem CID
- 2483010
- DTXSID
DTXSID201324992- ChEMBL
CHEMBL1882165
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 701
Experimental & physicochemical properties
Solubility3.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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