6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(1,1-dimethylethyl)-1-piperidinyl)-7-methyl-, monohydrochloride
Basic information
- CAS
122113-19-3- Standard SMILES
CN1C(=O)Cc2cnc(N3CCC(C(C)(C)C)CC3)nc21.Cl- InChIKey
XSNBKKFEHBGTHJ-UHFFFAOYSA-N- Molecular formula
- C16H25ClN4O
- Average molar mass
- 324.8 g/mol
- Monoisotopic mass
- 324.1716891
Names & identifiers
- Preferred name
- 6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(1,1-dimethylethyl)-1-piperidinyl)-7-methyl-, monohydrochloride
- IUPAC
- 2-(4-tert-butylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
Names & synonyms
122113-19-36H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-(1,1-dimethylethyl)-1-piperidinyl)-7-methyl-, monohydrochlorideDTXSID60153506RefChem:309768DTXCID50759972-(4-tert-Butylpiperidin-1-yl)-7-methyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one--hydrogen chloride (1/1)
Database identifiers
- CAS
122113-19-3- PubChem CID
- 3078656
- DTXSID
DTXSID60153506
Properties
Computed structural properties
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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