2-(4,6-Diethyl-2-methylpyrimidin-5-yl)-5-nitrophenol
Basic information
- CAS
42902-06-7- Standard SMILES
CCc1nc(C)nc(CC)c1-c1ccc([N+](=O)[O-])cc1O- InChIKey
YRKWXZFRBOIKEL-UHFFFAOYSA-N- Molecular formula
- C15H17N3O3
- Average molar mass
- 287.31 g/mol
- Monoisotopic mass
- 287.12699141
Names & identifiers
- Preferred name
- 2-(4,6-Diethyl-2-methylpyrimidin-5-yl)-5-nitrophenol
- IUPAC
- 2-(4,6-diethyl-2-methylpyrimidin-5-yl)-5-nitrophenol
Names & synonyms
42902-06-7NSC1707252-(4,6-diethyl-2-methylpyrimidin-5-yl)-5-nitrophenolDTXSID90305415NSC-170725
Database identifiers
- CAS
42902-06-7- PubChem CID
- 298533
- DTXSID
DTXSID90305415
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 347
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