Basic information
- CAS
73680-95-2- Standard SMILES
C=CCC1(C(C)C)C(=O)NC(=O)N(Cc2ccccc2)C1=O- InChIKey
UTBDPHLYKXFUAA-UHFFFAOYSA-N- Molecular formula
- C17H20N2O3
- Average molar mass
- 300.35 g/mol
- Monoisotopic mass
- 300.1473925
Names & identifiers
- Preferred name
- 3-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
- IUPAC
- 1-benzyl-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Allyl-1-benzyl-5-isopropyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular weight
- 0
Names & synonyms
73680-95-2DTXSID409945303-Benzyl-6-hydroxy-5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dioneRefChem:1067392DTXCID101421563BRN 02829205-Allyl-1-benzyl-5-isopropyl barbituric acidBARBITURIC ACID, 5-ALLYL-1-BENZYL-5-ISOPROPYL-5-24-09-00225 (Beilstein Handbook Reference)5-Allyl-1-benzyl-5-isopropylbarbituric acid5-Allyl-1-benzyl-5-isopropyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
73680-95-2- PubChem CID
- 52168
- DTXSID
DTXSID40994530- Nikkaji
- J84.809C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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