Basic information
- CAS
537667-14-4- Standard SMILES
Clc1cccc(N2CCN(c3ncnc4nc[nH]c34)CC2)c1- InChIKey
QIXXACAFRCQPFS-UHFFFAOYSA-N- Molecular formula
- C15H15ClN6
- Average molar mass
- 314.77 g/mol
- Monoisotopic mass
- 314.1046722
Names & identifiers
- Preferred name
- 6-[4-(3-chlorophenyl)piperazin-1-yl]-9H-purine
- IUPAC
- 6-[4-(3-chlorophenyl)piperazin-1-yl]-7H-purine
- English name
- 6-(4-(3-chlorophenyl)piperazin-1-yl)-9H-purine
- Molecular formula
- C15H15ClN6
- Molecular weight
- 314.77
Names & synonyms
537667-14-46-[4-(3-chlorophenyl)piperazin-1-yl]-9H-purine6-[4-(3-chlorophenyl)piperazin-1-yl]-7H-purine6-(4-(3-chlorophenyl)piperazin-1-yl)-9H-purineOprea1_734910MLS000679209F0578-0123SCHEMBL1789307SCHEMBL2298188CHEMBL1492414DTXSID001324415HMS2756L13
Show more names
9H-Purine, 6-[4-(3-chlorophenyl)-1-piperazinyl]-
EBC-35024STK856706AKOS001448714AKOS005631847CCG-275773NCGC00310774-016-[4-(3-chlorophenyl)piperazinyl]purineSMR000297485
Database identifiers
- CAS
537667-14-4- PubChem CID
- 5000906
- DTXSID
DTXSID001324415- ChEMBL
CHEMBL1492414
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 375
Experimental & physicochemical properties
Solubility0.8 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
VITAS-BB—
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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