6-(pentylamino)-1H-pyrimidin-2-one
Basic information
- CAS
60722-59-0- Standard SMILES
CCCCCNc1ccnc(=O)[nH]1- InChIKey
DRPIQFDRESLRIZ-UHFFFAOYSA-N- Molecular formula
- C9H15N3O
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.12151211
Names & identifiers
- Preferred name
- 6-(pentylamino)-1H-pyrimidin-2-one
- IUPAC
- 6-(pentylamino)-1H-pyrimidin-2-one
Names & synonyms
NSC21161560722-59-0SCHEMBL606375CHEMBL3273672DTXSID803092806-(Pentylamino)pyrimidin-2(1H)-oneNSC-211615
Database identifiers
- CAS
60722-59-0- PubChem CID
- 309341
- DTXSID
DTXSID80309280- ChEMBL
CHEMBL3273672
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 233
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Compound notes
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