1,3-Dimethyl-5-[4-(2-isopropyl-6-methylpyrimidin-4-yloxy)phenylcarbamoyl]barbituric acid
Basic information
- Standard SMILES
Cc1cc(Oc2ccc(NC(=O)C3C(=O)N(C)C(=O)N(C)C3=O)cc2)nc(C(C)C)n1- InChIKey
HVPVJNKFFRNLLZ-UHFFFAOYSA-N- Molecular formula
- C21H23N5O5
- Average molar mass
- 425.4 g/mol
- Monoisotopic mass
- 425.16991885
Names & identifiers
- Preferred name
- 1,3-Dimethyl-5-[4-(2-isopropyl-6-methylpyrimidin-4-yloxy)phenylcarbamoyl]barbituric acid
- IUPAC
- 1,3-dimethyl-N-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]-2,4,6-trioxo-1,3-diazinane-5-carboxamide
Names & synonyms
SCHEMBL10675548HVPVJNKFFRNLLZ-UHFFFAOYSA-N1,3-Dimethyl-5-[4-(2-isopropyl-6-methylpyrimidin-4-yloxy)phenylcarbamoyl]barbituric acid
Database identifiers
- PubChem CID
- 20133965
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 697
Related reactions
2 records
Compound notes
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