Basic information
- CAS
111628-40-1- Standard SMILES
Cc1cc(=O)[nH]c(=O)n1N1CCNCC1- InChIKey
TUIBFNPWJHHSFC-UHFFFAOYSA-N- Molecular formula
- C9H14N4O2
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.1116757
Names & identifiers
- Preferred name
- 6-Methyl-1-(1-piperazinyl)-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 6-methyl-1-piperazin-1-ylpyrimidine-2,4-dione
Names & synonyms
SCHEMBL105620286-Methyl-1-(1-piperazinyl)-2,4(1H,3H)-pyrimidinedioneDTXSID301214469111628-40-16-Methyl-1-(piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
111628-40-1- PubChem CID
- 20043785
- DTXSID
DTXSID301214469
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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