Barbituric acid, 5-methyl-5-(2-pyridylmethyl)-
Basic information
- CAS
99844-46-9- Standard SMILES
CC1(Cc2ccccn2)C(=O)NC(=O)NC1=O- InChIKey
JGSIFTCUCCQSER-UHFFFAOYSA-N- Molecular formula
- C11H11N3O3
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.08004122
Names & identifiers
- Preferred name
- Barbituric acid, 5-methyl-5-(2-pyridylmethyl)-
- IUPAC
- 5-methyl-5-(pyridin-2-ylmethyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
BRN 06160015-Picolyl-5-methylbarbituric acidBARBITURIC ACID, 5-METHYL-5-(2-PYRIDYLMETHYL)-5-Methyl-5-(2-pyridylmethyl)barbituric acid99844-46-9DTXSID702442725-26-06-00339 (Beilstein Handbook Reference)RefChem:320863DTXCID701667635-Methyl-5-[(pyridin-2-yl)methyl]-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
99844-46-9- PubChem CID
- 57542
- DTXSID
DTXSID70244272
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…