Basic information
- CAS
7153-60-8- Standard SMILES
CCCCn1cc(C#N)c(=O)[nH]c1=O- InChIKey
FSUGKOQODCRCLT-UHFFFAOYSA-N- Molecular formula
- C9H11N3O2
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.0851266
Names & identifiers
- Preferred name
- 1-Butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
- IUPAC
- 1-butyl-2,4-dioxopyrimidine-5-carbonitrile
Names & synonyms
7153-60-81-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile1-butyl-2,4-dioxopyrimidine-5-carbonitrileMFCD019270781-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrileBB-0810NSC44194DTXSID60286207NSC-44194AKOS0062285431-butyl-2,4-dioxo-pyrimidine-5-carbonitrile
Database identifiers
- CAS
7153-60-8- PubChem CID
- 239272
- DTXSID
DTXSID60286207- Nikkaji
- J2.605.573C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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