5-Chloro-6-[(2-imino-1-pyrrolidinyl)methyl]-4(3H)-pyrimidinone
Basic information
- CAS
794510-92-2- Standard SMILES
N=C1CCCN1Cc1nc[nH]c(=O)c1Cl- InChIKey
LINSWWCUCIGBDG-UHFFFAOYSA-N- Molecular formula
- C9H11ClN4O
- Average molar mass
- 226.66 g/mol
- Monoisotopic mass
- 226.0621387
Names & identifiers
- Preferred name
- 5-Chloro-6-[(2-imino-1-pyrrolidinyl)methyl]-4(3H)-pyrimidinone
- IUPAC
- 5-chloro-4-[(2-iminopyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one
Names & synonyms
CHEMBL1181612DTXSID1011793845-Chloro-6-[(2-imino-1-pyrrolidinyl)methyl]-4(3H)-pyrimidinone5-Chloro-6-[(2-iminopyrrolidin-1-yl)methyl]pyrimidin-4(1H)-one794510-92-2
Database identifiers
- CAS
794510-92-2- PubChem CID
- 135899331
- DTXSID
DTXSID101179384- ChEMBL
CHEMBL1181612
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 374
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Compound notes
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