Chemical Properties of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl- (CAS 726-79-4)

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl-

InChI
InChI=1S/C13H18N2O3/c1-13(9-7-5-4-6-8-9)10(16)14(2)12(18)15(3)11(13)17/h7H,4-6,8H2,1-3H3
InChI Key
PCTJGZPAPPNSKM-UHFFFAOYSA-N
Formula
C13H18N2O3
SMILES
CN1C(=O)N(C)C(=O)C(C)(C2=CCCCC2)C1=O
Molecular Weight1
250.29
CAS
726-79-4
Other Names
  • 3-Methyl derivative of Hexobarbital
  • Barbituric acid, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl-
  • Hexobarbital Me
  • Hexobarbital permethylated
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Physical Properties

Property Value Unit Source
log10WS -2.63 Relay (1.0) Calculated Property
logPoct/wat 1.543 Crippen Calculated Property
McVol 192.680 ml/mol McGowan Calculated Property
Inp [1795.00; 1833.00]   Show Hide
Inp 1833.00 NIST
Inp 1795.00 NIST
Inp 1795.00 NIST
Tfus 356.74 K Relay (1.0) Calculated Property

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Similar Compounds

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohepten-1-yl)-5-ethyl-1,3-dimethyl-. Barbituric acid, 5-(1-cyclohexen-1-yl)-5-ethyl-1,3-dimethyl-. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1-ethyl-3,5-dimethyl-. Hexobarbital. Hexobarbital perbutylated. Heptabarbital monomethylated. Heptabarbital, 1,3-dibutyl. 3,5-Dimethyl-5-(3-oxocyclohex-1-enyl)-hexahydropyrimidin-2,4,6-trione. Cyclobarbital. 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohepten-1-yl)-5-ethyl-. 1,3-Dimethyl-5-(3-oxocyclohexen-1-yl)hexahydropyrimidine-2,4,6-trione. 1,3-Dimethyl-5-(3-hydroxycyclohexen-1-yl)hexahydropyrimidine-2,4,6-trione. 5-Ethyl-5-(3-oxy-1-cyclohexenyl)-hexahydropyrimidin-2,4,6-trione. Hexobarbital M (OH, -H2O). Reposal.

Find more compounds similar to 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,3,5-trimethyl-.

Sources

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