6-[N-Methyl-N-(2-hydroxyethyl)amino]-4-(4-phenylsulphonylanilino)pyrido[3,4-d]pyrimidine
Basic information
- Standard SMILES
CN(CCO)c1cc2c(Nc3ccc(S(=O)(=O)c4ccccc4)cc3)ncnc2cn1- InChIKey
NGGKKVSEPYCGNW-UHFFFAOYSA-N- Molecular formula
- C22H21N5O3S
- Average molar mass
- 435.5 g/mol
- Monoisotopic mass
- 435.13651072
Names & identifiers
- Preferred name
- 6-[N-Methyl-N-(2-hydroxyethyl)amino]-4-(4-phenylsulphonylanilino)pyrido[3,4-d]pyrimidine
- IUPAC
- 2-[[4-[4-(benzenesulfonyl)anilino]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol
Names & synonyms
SCHEMBL7892358NGGKKVSEPYCGNW-UHFFFAOYSA-N6-[N-Methyl-N-(2-hydroxyethyl)amino]-4-(4-phenylsulphonylanilino)pyrido[3,4-d]pyrimidine
Database identifiers
- PubChem CID
- 22112892
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 659
Related reactions
2 records
Compound notes
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