1-Methyl-5,5-di-2-propen-1-yl-2,4,6(1H,3H,5H)-pyrimidinetrione
Basic information
- CAS
780-59-6- Standard SMILES
C=CCC1(CC=C)C(=O)NC(=O)N(C)C1=O- InChIKey
FXHBIVKHYQDNOX-UHFFFAOYSA-N- Molecular formula
- C11H14N2O3
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.10044231
Names & identifiers
- Preferred name
- 1-Methyl-5,5-di-2-propen-1-yl-2,4,6(1H,3H,5H)-pyrimidinetrione
- IUPAC
- 1-methyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
- English name
- 1-Methyl-5,5-di(2-propenyl)barbituric acid
- Molecular weight
- 0
Names & synonyms
780-59-6BARBITURIC ACID, 5,5-DIALLYL-1-METHYL-DTXSID10228652RefChem:1055820DTXCID601511431-Methyl-5,5-di-2-propen-1-yl-2,4,6(1H,3H,5H)-pyrimidinetrioneN-MethylallobarbitalBRN 01921525,5-Diallyl-1-methylbarbituric acid2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-methyl-5,5-di-2-propenyl-5-24-09-00246 (Beilstein Handbook Reference)SCHEMBL2049685
Show more names
1-Methyl-5,5-di(2-propenyl)barbituric acid
FXHBIVKHYQDNOX-UHFFFAOYSA-NN-methyl-5,5-diallylbarbituric acid1-Methyl-5,5-di(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
780-59-6- PubChem CID
- 13074
- DTXSID
DTXSID10228652- Nikkaji
- J54.552J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 363
Experimental & physicochemical properties
LogP1.55
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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