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Basic information
- Standard SMILES
Clc1ccc(CCc2ccncn2)c(Cl)c1- InChIKey
IRFKBVHFQGZLBI-UHFFFAOYSA-N- Molecular formula
- C12H10Cl2N2
- Average molar mass
- 253.12 g/mol
- Monoisotopic mass
- 252.0221037
Names & identifiers
- Preferred name
- 4-(2-(2,4-Dichlorophenyl)ethyl)pyrimidine
- IUPAC
- 4-[2-(2,4-dichlorophenyl)ethyl]pyrimidine
Names & synonyms
NSC6385844-(2-(2,4-Dichlorophenyl)ethyl)pyrimidine4-[2-(2,4-dichlorophenyl)ethyl]pyrimidineCHEMBL1981585NSC-638584NCI60_012894
Database identifiers
- PubChem CID
- 368166
- ChEMBL
CHEMBL1981585
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
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Compound notes
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