1-Propyl-1,3-diazinane-2,4,6-trione

HCID 285568

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

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]

Related reactions

1 records

Compound notes

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