2-O-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Basic information
- CAS
852943-02-3- Standard SMILES
COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)c1C- InChIKey
CODGGKANIWDVPW-UHFFFAOYSA-N- Molecular formula
- C20H26N4O7
- Average molar mass
- 434.4 g/mol
- Monoisotopic mass
- 434.18014918
Names & identifiers
- Preferred name
- 2-O-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
- IUPAC
- 2-O-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Names & synonyms
2-O-[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylateMLS002252003CHEMBL1735348DTXSID101331946HMS3086N20AKOS033728623852943-02-3SMR001314358AB00948312-03SR-01000068851SR-01000068851-1Z20060289
Show more names
2-{2-[6-amino-3-methyl-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-oxoethyl} 4-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Database identifiers
- CAS
852943-02-3- PubChem CID
- 4846293
- DTXSID
DTXSID101331946- ChEMBL
CHEMBL1735348
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 822
Experimental & physicochemical properties
Solubility14 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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