Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(3-(4-phenyl-1-piperazinyl)propyl)-
Basic information
- CAS
165898-59-9- Standard SMILES
Cn1c(=O)c2c(nc3n(CCCN4CCN(c5ccccc5)CC4)c(=O)ccn23)n(C)c1=O- InChIKey
KKAHSDTTXJNVBL-UHFFFAOYSA-N- Molecular formula
- C23H27N7O3
- Average molar mass
- 449.5 g/mol
- Monoisotopic mass
- 449.21753775
Names & identifiers
- Preferred name
- Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(3-(4-phenyl-1-piperazinyl)propyl)-
- IUPAC
- 1,3-dimethyl-9-[3-(4-phenylpiperazin-1-yl)propyl]purino[7,8-a]pyrimidine-2,4,8-trione
Names & synonyms
Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(3-(4-phenyl-1-piperazinyl)propyl)-1,3-Dimethyl-9-gamma-(N-4-phenylpiperazinopropyl)pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione165898-59-9DTXSID90168047RefChem:377751DTXCID6090538CHEMBL91021BDBM501460841,3-Dimethyl-8-[3-(4-phenyl-piperazin-1-yl)-propyl]-1H,8H-1,3,4b,8,9-pentaaza-fluorene-2,4,7-trione1,3-Dimethyl-9-[3-(4-phenylpiperazin-1-yl)propyl]pyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione
Database identifiers
- CAS
165898-59-9- PubChem CID
- 3074872
- DTXSID
DTXSID90168047- ChEMBL
CHEMBL91021- Nikkaji
- J673.482K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 806
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Compound notes
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