Basic information
- CAS
92146-11-7- Standard SMILES
Cc1nc(N)[nH]c(=O)c1CCC#N- InChIKey
CPIBPTZOODLBPS-UHFFFAOYSA-N- Molecular formula
- C8H10N4O
- Average molar mass
- 178.19 g/mol
- Monoisotopic mass
- 178.08546096
Names & identifiers
- Preferred name
- 3-(2-Amino-6-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)propanenitrile
- IUPAC
- 3-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanenitrile
Names & synonyms
92146-11-73-(2-amino-6-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)propanenitrileNSC79669NCIOpen2_000948SCHEMBL6421821DTXSID60292020CPIBPTZOODLBPS-UHFFFAOYSA-NNSC-79669DS-0007633-(2-Amino-4-hydroxy-6-methlpyrimidine-5-yl)propanenitrile3-(2-amino-4-hydroxy-6-methylpyrimidine-5-yl)propanenitrile5-Pyrimidinepropanenitrile,2-amino-1,6-dihydro-4-methyl-6-oxo-
Database identifiers
- CAS
92146-11-7- PubChem CID
- 135413073
- DTXSID
DTXSID60292020
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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