Pyrimidine, 2,2'-(o-chlorobenzylidenediimino)di-
Basic information
- CAS
93371-84-7- Standard SMILES
Clc1ccccc1C(Nc1ncccn1)Nc1ncccn1- InChIKey
KSFDBUHAYBQMJP-UHFFFAOYSA-N- Molecular formula
- C15H13ClN6
- Average molar mass
- 312.76 g/mol
- Monoisotopic mass
- 312.0890221
Names & identifiers
- Preferred name
- Pyrimidine, 2,2'-(o-chlorobenzylidenediimino)di-
- IUPAC
- 1-(2-chlorophenyl)-N,N'-di(pyrimidin-2-yl)methanediamine
Names & synonyms
Pyrimidine, 2,2'-(o-chlorobenzylidenediimino)di-93371-84-7Methanediamine, 1-(2-chlorophenyl)-N,N'-di-2-pyrimidinyl-2,2'-(o-Chlorobenzylidenediimino)dipyrimidineDTXSID80239391NSC 357650RefChem:377454DTXCID00161882NSC357650NSC-3576501-(2-chlorophenyl)-N,N'-di(pyrimidin-2-yl)methanediamineNCIStruc1_001863
Show more names
NCIStruc2_001963CHEMBL1568369CCG-37061NCGC00014814NCI357650AKOS000359995NCGC00014814-02NCGC00097915-01
Database identifiers
- CAS
93371-84-7- PubChem CID
- 100181
- DTXSID
DTXSID80239391- ChEMBL
CHEMBL1568369
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 299
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Related reactions
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Compound notes
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