5-((4-Methoxyphenyl)amino)pyrimidine-2,4(1H,3H)-dione
Basic information
- CAS
4878-54-0- Standard SMILES
COc1ccc(Nc2c[nH]c(=O)[nH]c2=O)cc1- InChIKey
REQUYQKTHSNJBA-UHFFFAOYSA-N- Molecular formula
- C11H11N3O3
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.08004122
Names & identifiers
- Preferred name
- 5-((4-Methoxyphenyl)amino)pyrimidine-2,4(1H,3H)-dione
- IUPAC
- 5-(4-methoxyanilino)-1H-pyrimidine-2,4-dione
Names & synonyms
4878-54-05-((4-Methoxyphenyl)amino)pyrimidine-2,4(1H,3H)-dioneMLS0026935805-[(4-methoxyphenyl)amino]pyrimidine-2,4(1h,3h)-dioneNSC66580NCIOpen2_002906Oprea1_4743555-[(4-methoxyphenyl)amino]-1H-pyrimidine-2,4-dioneCHEMBL1882842DTXSID80290104HMS3086O15NSC-66580
Show more names
AKOS022118356NCI60_022781SMR000040237DS-0056335-(4-Methoxyanilino)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
4878-54-0- PubChem CID
- 248922
- DTXSID
DTXSID80290104- ChEMBL
CHEMBL1882842
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 346
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Compound notes
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