1-isobutyl-6-(4-methoxybenzyl)-3-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
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Basic information
- Standard SMILES
COc1ccc(Cn2cc3c(=O)n(C)c(=O)n(CC(C)C)c3c2)cc1- InChIKey
DTFISVVKXQHVKF-UHFFFAOYSA-N- Molecular formula
- C19H23N3O3
- Average molar mass
- 341.4 g/mol
Names & identifiers
- Preferred name
- 1-isobutyl-6-(4-methoxybenzyl)-3-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
- IUPAC
- 6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
Names & synonyms
CHEMBL87388SCHEMBL3395475DTFISVVKXQHVKF-UHFFFAOYSA-NDS-0218271-isobutyl-6-(4-methoxybenzyl)-3-methyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione166755-34-6
Database identifiers
- PubChem CID
- 10246701
- ChEMBL
CHEMBL87388- Nikkaji
- J687.034A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 502
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Related reactions
3 records
Compound notes
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