Basic information
- CAS
5496-93-5- Standard SMILES
CCCN1C(=O)CC(=O)NC1=O- InChIKey
XWOHLFXRXDBIHA-UHFFFAOYSA-N- Molecular formula
- C7H10N2O3
- Average molar mass
- 170.17 g/mol
- Monoisotopic mass
- 170.06914218
Names & identifiers
- Preferred name
- 1-Propyl-1,3-diazinane-2,4,6-trione
- IUPAC
- 1-propyl-1,3-diazinane-2,4,6-trione
- English name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione,1-propyl-
- Molecular formula
- C7H10N2O3
- Molecular weight
- 170.17
Names & synonyms
1-propyl-1,3-diazinane-2,4,6-trione5496-93-51-propylpyrimidine-2,4,6(1h,3h,5h)-trione1-Propylbarbituric acid1-propyl-1,3,5-trihydropyrimidine-2,4,6-trioneNSC142569SCHEMBL3294487SCHEMBL12275610XWOHLFXRXDBIHA-UHFFFAOYSA-DTXSID50301352XWOHLFXRXDBIHA-UHFFFAOYSA-NSBB038950
Show more names
1-Propyl-pyrimidine-2,4,6-trione2,4,6(1H,3H,5H)-Pyrimidinetrione,1-propyl-
AKOS000266958NSC-142569DB-201926ST501182951-Propyl-2,4,6(1h,3h,5h)-pyrimidinetrioneG53496EN300-24203017InChI=1/C7H10N2O3/c1-2-3-9-6(11)4-5(10)8-7(9)12/h2-4H2,1H3,(H,8,10,12)
Database identifiers
- CAS
5496-93-5- PubChem CID
- 285568
- DTXSID
DTXSID50301352- Nikkaji
- J1.844.137C
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 105 · 105-106 °C
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- pka
- 5.14 · 5.14±0.40(Predicted)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
PRINCETON[email protected]
Related reactions
1 records
Compound notes
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