6-(4-tert-butylanilino)-1H-pyrimidine-2,4-dione
Basic information
- CAS
21332-97-8- Standard SMILES
CC(C)(C)c1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1- InChIKey
KGGXERCTOPPJLY-UHFFFAOYSA-N- Molecular formula
- C14H17N3O2
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.13207679
Names & identifiers
- Preferred name
- 6-(4-tert-butylanilino)-1H-pyrimidine-2,4-dione
- IUPAC
- 6-(4-tert-butylanilino)-1H-pyrimidine-2,4-dione
Names & synonyms
NSC21048921332-97-8DTXSID10308963NSC-2104896-(4-tert-Butylanilino)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
21332-97-8- PubChem CID
- 308640
- DTXSID
DTXSID10308963
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…