Basic information
- Standard SMILES
NC(=O)c1nc(-c2cccc(O)c2)nc(Nc2cccc3c2ccn3S(=O)(=O)c2ccccc2)c1N- InChIKey
NHGFQWGCUSRHMJ-UHFFFAOYSA-N- Molecular formula
- C25H20N6O4S
- Average molar mass
- 500.5 g/mol
Names & identifiers
- Preferred name
- 5-Amino-2-(3-hydroxyphenyl)-6-(1-(phenylsulfonyl)-1H-indol-4-ylamino)pyrimidine-4-carboxamide
- IUPAC
- 5-amino-6-[[1-(benzenesulfonyl)indol-4-yl]amino]-2-(3-hydroxyphenyl)pyrimidine-4-carboxamide
Names & synonyms
SCHEMBL4229049NHGFQWGCUSRHMJ-UHFFFAOYSA-N5-Amino-2-(3-hydroxyphenyl)-6-(1-(phenylsulfonyl)-1H-indol-4-ylamino)pyrimidine-4-carboxamide
Database identifiers
- PubChem CID
- 57474792
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 878
Related reactions
2 records
Compound notes
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