Basic information
- CAS
99989-40-9- Standard SMILES
Cc1cc(C)nc(Oc2ccc([N+](=O)[O-])cc2)n1- InChIKey
IFJDPIPLLBRMGH-UHFFFAOYSA-N- Molecular formula
- C12H11N3O3
- Average molar mass
- 245.23 g/mol
- Monoisotopic mass
- 245.08004122
Names & identifiers
- Preferred name
- 4,6-Dimethyl-2-(4-nitrophenoxy)pyrimidine
- IUPAC
- 4,6-dimethyl-2-(4-nitrophenoxy)pyrimidine
Names & synonyms
4,6-dimethyl-2-(4-nitrophenoxy)pyrimidineMLS000693581CHEMBL1470190SCHEMBL10827290IFJDPIPLLBRMGH-UHFFFAOYSA-NHMS2631H17AKOS000565281SMR000285492ST0614202-(4-nitrophenoxy)-4,6-dimethyl-pyrimidineEU-00704892- (4-Nitrophenoxy)-4,6-dimethyl-pyrimidin
Show more names
2-(4-nitro-phenoxy)-4,6-dimethyl-pyrimidineSR-010004242241-(4,6-dimethylpyrimidin-2-yloxy)-4-nitrobenzeneSR-01000424224-1
Database identifiers
- CAS
99989-40-9- PubChem CID
- 776048
- ChEMBL
CHEMBL1470190- EC Number
- 120-963-1
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Related reactions
4 records
Compound notes
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