Basic information
- CAS
21599-27-9- Standard SMILES
CCCC(CCC)C(=O)Nc1ncccn1- InChIKey
AQAWTFCMNPKTDA-UHFFFAOYSA-N- Molecular formula
- C12H19N3O
- Average molar mass
- 221.3 g/mol
- Monoisotopic mass
- 221.15281224
Names & identifiers
- Preferred name
- Valeramide, 2-propyl-N-(2-pyrimidinyl)-
- IUPAC
- 2-propyl-N-pyrimidin-2-ylpentanamide
Names & synonyms
Valeramide, 2-propyl-N-(2-pyrimidinyl)-2-Propyl-N-(2-pyrimidinyl)valeramideDipropylacetamido-2-pyrimidineBRN 095872121599-27-9Acetamide, 2,2-dipropyl-N-(2-pyrimidinyl)-Acetamide, N-(2-pyrimidinyl)-2,2-dipropyl-DTXSID401759635-25-10-00033 (Beilstein Handbook Reference)RefChem:388205DTXCID70984542-propyl-N-(pyrimidin-2-yl)pentanamide
Database identifiers
- CAS
21599-27-9- PubChem CID
- 88962
- DTXSID
DTXSID40175963- Nikkaji
- J54.121D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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