Basic information
- CAS
1781880-35-0- Standard SMILES
CC(C)(C)OC(=O)NCc1ncc(C#N)c(=O)[nH]1- InChIKey
SRRYAHZARPUOOD-UHFFFAOYSA-N- Molecular formula
- C11H14N4O3
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.10659032
Names & identifiers
- Preferred name
- tert-Butyl [(5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl)methyl]carbamate
- IUPAC
- tert-butyl N-[(5-cyano-6-oxo-1H-pyrimidin-2-yl)methyl]carbamate
Names & synonyms
DTXSID001120308tert-Butyl [(5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl)methyl]carbamate1781880-35-0Carbamic acid, N-[(5-cyano-1,6-dihydro-6-oxo-2-pyrimidinyl)methyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1781880-35-0- PubChem CID
- 83671997
- DTXSID
DTXSID001120308
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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