6-[(4-nitrophenyl)methylamino]-1H-pyrimidine-2,4-dione
Basic information
- CAS
64054-66-6- Standard SMILES
O=c1cc(NCc2ccc([N+](=O)[O-])cc2)[nH]c(=O)[nH]1- InChIKey
CKUZTJBBIJQRGO-UHFFFAOYSA-N- Molecular formula
- C11H10N4O4
- Average molar mass
- 262.22 g/mol
- Monoisotopic mass
- 262.07020481
Names & identifiers
- Preferred name
- 6-[(4-nitrophenyl)methylamino]-1H-pyrimidine-2,4-dione
- IUPAC
- 6-[(4-nitrophenyl)methylamino]-1H-pyrimidine-2,4-dione
Names & synonyms
NSC21223264054-66-6CHEMBL3274240DTXSID60309526NSC-2122326-{[(4-Nitrophenyl)methyl]amino}pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
64054-66-6- PubChem CID
- 309798
- DTXSID
DTXSID60309526- ChEMBL
CHEMBL3274240
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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