5,7-Dimethyl-3-phenylisoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Basic information
- CAS
65183-49-5- Standard SMILES
Cn1c(=O)c2c(-c3ccccc3)onc2n(C)c1=O- InChIKey
AMRYLFCALUMNPV-UHFFFAOYSA-N- Molecular formula
- C13H11N3O3
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.08004122
Names & identifiers
- Preferred name
- 5,7-Dimethyl-3-phenylisoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
- IUPAC
- 5,7-dimethyl-3-phenyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
Names & synonyms
65183-49-5NSC6812645,7-Dimethyl-3-phenylisoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione5',4-d)pyrimidin-4,6-dioneCHEMBL1971543SCHEMBL11434696DTXSID30327737AMRYLFCALUMNPV-UHFFFAOYSA-NNSC-681264NCI60_0290185,7-dimethyl-3-phenyl-isoxazolo[3,4-d]pyrimidine-4,6-dione3-Phenyl-5,7-dimethyl-5H,7H-isoxazolo[3,4-d]pyrimidine-4,6-dione
Show more names
5,7-Dimethyl-3-phenyl[1,2]oxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
Database identifiers
- CAS
65183-49-5- PubChem CID
- 387458
- DTXSID
DTXSID30327737- ChEMBL
CHEMBL1971543- Nikkaji
- J1.744.311I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 395
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Related reactions
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Compound notes
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