4,6-Dihydroxy-5-methyl-5-(prop-1-en-2-yl)pyrimidin-2(5H)-one
Basic information
- CAS
67051-35-8- Standard SMILES
C=C(C)C1(C)C(=O)NC(=O)NC1=O- InChIKey
BHCOBDVPTWTVBT-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3
- Average molar mass
- 182.18 g/mol
- Monoisotopic mass
- 182.06914219
Names & identifiers
- Preferred name
- 4,6-Dihydroxy-5-methyl-5-(prop-1-en-2-yl)pyrimidin-2(5H)-one
- IUPAC
- 5-methyl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 5-Isopropenyl-5-methylbarbituric acid
- Molecular weight
- 0
Names & synonyms
67051-35-8DTXSID909860814,6-Dihydroxy-5-methyl-5-(prop-1-en-2-yl)pyrimidin-2(5H)-oneRefChem:1069506DTXCID301413269BARBITURIC ACID, 5-ISOPROPENYL-5-METHYL-5-Isopropenyl-5-methylbarbituric acidBRN 01638614-24-00-01979 (Beilstein Handbook Reference)NSC117683NSC 117683NSC-117683
Show more names
5-Isopropenyl-5-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
2,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl-5-(1-methylethenyl)-
Database identifiers
- CAS
67051-35-8- PubChem CID
- 49305
- DTXSID
DTXSID90986081- Nikkaji
- J105.693J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 299
Experimental & physicochemical properties
LogP0.15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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