Basic information
- CAS
637015-97-5- Standard SMILES
O=C1CCCN1CCCNc1ccnc(Cl)n1- InChIKey
ISXMKHUUBPNCGQ-UHFFFAOYSA-N- Molecular formula
- C11H15ClN4O
- Average molar mass
- 254.71 g/mol
- Monoisotopic mass
- 254.0934388
Names & identifiers
- Preferred name
- 1-[3-[(2-Chloro-4-pyrimidinyl)amino]propyl]-2-pyrrolidinone
- IUPAC
- 1-[3-[(2-chloropyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
Names & synonyms
SCHEMBL51004371-[3-[(2-Chloro-4-pyrimidinyl)amino]propyl]-2-pyrrolidinoneDTXSID201188659637015-97-5SR-01000649838SR-01000649838-11-{3-[(2-chloropyrimidin-4-yl)amino]propyl}pyrrolidin-2-one
Database identifiers
- CAS
637015-97-5- PubChem CID
- 58882136
- DTXSID
DTXSID201188659
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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