2-(5-phenyl-[1,4]oxazepane-4-yl)-3-methyl-6-pyrimidin-4-yl-3H-pyrimidin-4-one
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Basic information
- Standard SMILES
Cn1c(N2CCOCCC2c2ccccc2)nc(-c2ccncn2)cc1=O- InChIKey
KTAPDKRBGBRPCH-UHFFFAOYSA-N- Molecular formula
- C20H21N5O2
- Average molar mass
- 363.4 g/mol
Names & identifiers
- Preferred name
- 2-(5-phenyl-[1,4]oxazepane-4-yl)-3-methyl-6-pyrimidin-4-yl-3H-pyrimidin-4-one
- IUPAC
- 3-methyl-2-(5-phenyl-1,4-oxazepan-4-yl)-6-pyrimidin-4-ylpyrimidin-4-one
Names & synonyms
SCHEMBL2114666KTAPDKRBGBRPCH-UHFFFAOYSA-N2-(5-phenyl-[1,4]oxazepane-4-yl)-3-methyl-6-pyrimidin-4-yl-3H-pyrimidin-4-one
Database identifiers
- PubChem CID
- 67281174
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 599
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Related reactions
1 records
Compound notes
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