1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 3,7-dimethyl-1-phenyl-
Basic information
- CAS
39929-60-7- Standard SMILES
Cn1c(=O)c2ccn(C)c2n(-c2ccccc2)c1=O- InChIKey
IATOMMVPABYIPK-UHFFFAOYSA-N- Molecular formula
- C14H13N3O2
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.10077667
Names & identifiers
- Preferred name
- 1H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 3,7-dimethyl-1-phenyl-
- IUPAC
- 3,7-dimethyl-1-phenylpyrrolo[2,3-d]pyrimidine-2,4-dione
Names & synonyms
39929-60-73,7-dimethyl-1-phenyl-1h-pyrrolo[2,3-d]pyrimidine-2,4(3h,7h)-dioneBRN 06741981H-Pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dione, 3,7-dimethyl-1-phenyl-DTXSID201929763,7-Dimethyl-1-phenyl-1H-pyrrolo(2,3-d)pyrimidine-2,4(3H,7H)-dioneRefChem:240815DTXCID601154673,7-dimethyl-1-phenyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dioneDB-151193
Database identifiers
- CAS
39929-60-7- PubChem CID
- 217945
- DTXSID
DTXSID20192976
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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