Basic information
- CAS
204634-66-2- Standard SMILES
Brc1cccc(CN2CCN(c3ncccn3)CC2)c1- InChIKey
NSGCPCHWOFJAAH-UHFFFAOYSA-N- Molecular formula
- C15H17BrN4
- Average molar mass
- 333.23 g/mol
- Monoisotopic mass
- 332.06365864
Names & identifiers
- Preferred name
- 2-[4-[(3-Bromophenyl)methyl]-1-piperazinyl]pyrimidine
- IUPAC
- 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]pyrimidine
Names & synonyms
204634-66-22-[4-[(3-bromophenyl)methyl]-1-piperazinyl]pyrimidine2-(4-((3-Bromophenyl)methyl)-1-piperazinyl)pyrimidineRefChem:2518012-[4-[(3-bromophenyl)methyl]piperazin-1-yl]pyrimidine2-[4-(3-bromobenzyl)-1-piperazinyl]pyrimidineSR-010002026662-{4-[(3-Bromophenyl)methyl]piperazin-1-yl}pyrimidineOprea1_786695MLS001000547SCHEMBL7502856CHEMBL1407010
Show more names
DTXSID901216063HMS2815G06AKOS003971141DA-08419SMR000496074SR-01000202666-1SR-01000202666-3
Database identifiers
- CAS
204634-66-2- PubChem CID
- 754229
- DTXSID
DTXSID901216063- ChEMBL
CHEMBL1407010
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 288
Experimental & physicochemical properties
Solubility25.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
1 records
Compound notes
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