6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride
Basic information
- CAS
122113-31-9- Standard SMILES
CCC(C)N1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1.Cl- InChIKey
MHYMBUZIWHEXDC-UHFFFAOYSA-N- Molecular formula
- C15H24ClN5O
- Average molar mass
- 325.84 g/mol
- Monoisotopic mass
- 325.1669381
Names & identifiers
- Preferred name
- 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochloride
- IUPAC
- 2-(4-butan-2-ylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
Names & synonyms
122113-31-96H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylpropyl)-1-piperazinyl)-,monohydrochlorideRefChem:309781DTXSID309240882-[4-(Butan-2-yl)piperazin-1-yl]-7-methyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one--hydrogen chloride (1/1)
Database identifiers
- CAS
122113-31-9- PubChem CID
- 3078680
- DTXSID
DTXSID30924088
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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