6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-methyl-1-piperidinyl)-, monohydrochloride
Basic information
- CAS
122113-16-0- Standard SMILES
CC1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1.Cl- InChIKey
NHQBLPLJWZBYFY-UHFFFAOYSA-N- Molecular formula
- C13H19ClN4O
- Average molar mass
- 282.77 g/mol
- Monoisotopic mass
- 282.1247389
Names & identifiers
- Preferred name
- 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-methyl-1-piperidinyl)-, monohydrochloride
- IUPAC
- 7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
Names & synonyms
122113-16-06H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-methyl-1-piperidinyl)-, monohydrochlorideDTXSID00153505RefChem:309784DTXCID00759967-Methyl-2-(4-methylpiperidin-1-yl)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one--hydrogen chloride (1/1)
Database identifiers
- CAS
122113-16-0- PubChem CID
- 3078652
- DTXSID
DTXSID00153505
Properties
Computed structural properties
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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