Basic information
- CAS
5395-48-2- Standard SMILES
CCCn1c(N)c(C#N)cnc1=O- InChIKey
RSEJGMNLDSFQJO-UHFFFAOYSA-N- Molecular formula
- C8H10N4O
- Average molar mass
- 178.19 g/mol
- Monoisotopic mass
- 178.08546096
Names & identifiers
- Preferred name
- 6-Amino-2-oxo-1-propyl-1,2-dihydropyrimidine-5-carbonitrile
- IUPAC
- 6-amino-2-oxo-1-propylpyrimidine-5-carbonitrile
Names & synonyms
5395-48-24-Imino-2-oxo-3-propyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile6-amino-2-oxo-1-propyl-1,2-dihydropyrimidine-5-carbonitrileNSC3307DTXSID70277641NSC-3307
Database identifiers
- CAS
5395-48-2- PubChem CID
- 220481
- DTXSID
DTXSID70277641
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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