8-(1-ethylpropyl)-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
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Basic information
- Standard SMILES
CCC(CC)n1c(=O)ccc2cnc(Nc3ccccc3)nc21- InChIKey
UGXSQSZMHDLASV-UHFFFAOYSA-N- Molecular formula
- C18H20N4O
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.16371127
Names & identifiers
- Preferred name
- 8-(1-ethylpropyl)-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
- IUPAC
- 2-anilino-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one
Names & synonyms
SCHEMBL5263049UGXSQSZMHDLASV-UHFFFAOYSA-NDB-1567448-(1-ethylpropyl)-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one8-(Pentan-3-yl)-2-(phenylamino)pyrido[2,3-d]pyrimidin-7(8h)-one211245-35-1
Database identifiers
- PubChem CID
- 9857790
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 429
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Related reactions
2 records
Compound notes
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