N-(4-oxo-3,4-dihydro-pyrimido[4,5-d]pyrimidin-2-ylmethyl)-3-phenyl-propionamide
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Basic information
- Standard SMILES
O=C(CCc1ccccc1)NCc1nc2ncncc2c(=O)[nH]1- InChIKey
JBXXCDBMSDLOQS-UHFFFAOYSA-N- Molecular formula
- C16H15N5O2
- Average molar mass
- 309.32 g/mol
- Monoisotopic mass
- 309.12257474
Names & identifiers
- Preferred name
- N-(4-oxo-3,4-dihydro-pyrimido[4,5-d]pyrimidin-2-ylmethyl)-3-phenyl-propionamide
- IUPAC
- N-[(4-oxo-3H-pyrimido[4,5-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide
Names & synonyms
SCHEMBL1624581JBXXCDBMSDLOQS-UHFFFAOYSA-NN-(4-oxo-3,4-dihydro-pyrimido[4,5-d]pyrimidin-2-ylmethyl)-3-phenyl-propionamide
Database identifiers
- PubChem CID
- 136367003
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 473
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Related reactions
2 records
Compound notes
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