Basic information
- CAS
148727-25-7- Standard SMILES
Cn1c(=O)c2c(nc3n2CCCN3CCCCN2CCN(c3ccccc3)CC2)n(C)c1=O- InChIKey
MHMIJKZAFZPTOO-UHFFFAOYSA-N- Molecular formula
- C24H33N7O2
- Average molar mass
- 451.6 g/mol
- Monoisotopic mass
- 451.26957332
Names & identifiers
- Preferred name
- Pyrimido(2,1-f)purine-2,4(1H,3H)-dione, 6,7,8,9-tetrahydro-1,3-dimethyl-9-(4-(4-phenyl-1-piperazinyl)butyl)-
- IUPAC
- 1,3-dimethyl-9-[4-(4-phenylpiperazin-1-yl)butyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Names & synonyms
148727-25-7Pyrimido(2,1-f)purine-2,4(1H,3H)-dione, 6,7,8,9-tetrahydro-1,3-dimethyl-9-(4-(4-phenyl-1-piperazinyl)butyl)-DTXSID90164089RefChem:377749DTXCID7086580CHEMBL86719BDBM501460871,3-Dimethyl-8-[4-(4-phenyl-piperazin-1-yl)-butyl]-5,6,7,8-tetrahydro-1H-1,3,4b,8,9-pentaaza-fluorene-2,4-dione1,3-Dimethyl-9-[4-(4-phenylpiperazin-1-yl)butyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Database identifiers
- CAS
148727-25-7- PubChem CID
- 3073449
- DTXSID
DTXSID90164089- ChEMBL
CHEMBL86719- Nikkaji
- J684.728E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 707
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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