Chemical Properties of 5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione

5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione

InChI
InChI=1S/C12H11FN2O3/c1-18-9-4-2-8(3-5-9)6-15-7-10(13)11(16)14-12(15)17/h2-5,7H,6H2,1H3,(H,14,16,17)
InChI Key
IWTFDHOAOPEINT-UHFFFAOYSA-N
Formula
C12H11FN2O3
SMILES
COc1ccc(Cn2cc(F)c(=O)[nH]c2=O)cc1
Molecular Weight1
250.23
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Physical Properties

Property Value Unit Source
ω 0.6904 Relay (1.0) Calculated Property
ΔfG° -159.94 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -473.53 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 115.90 kJ/mol Relay (1.0) Calculated Property
IE 8.45 eV Relay (1.0) Calculated Property
log10WS -2.75 Aq. Solubility Prediction
logPoct/wat 0.251 Crippen Calculated Property
McVol 171.760 ml/mol McGowan Calculated Property
Pc 3117.36 kPa Relay (1.0-beta) Calculated Property
Tboil 644.41 K Relay (1.0) Calculated Property
Tc 893.90 K Relay (1.0) Calculated Property
Tfus 429.50 K Relay (1.0) Calculated Property
Vc 0.629 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

5-fluoro-1-[(4-methylphenyl)methyl]pyrimidine-2,4-dione. 1-[(4-chlorophenyl)methyl]-5-fluoropyrimidine-2,4-dione. 5-fluoro-1-(phenylmethyl)pyrimidine-2,4-dione. Quinine. Quinidine. 21-Hydroxyintergerrimine. inosine-5'-monophosphate, TMS. Tetrabenazine M (desmethyl-HO-), monoacetylated. xanthosine-5'-monophosphate, TMS. N-Desmethylmirtazapine. Senecionine, 12-acetyl. Benazepril Me. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Formosanan-16-carboxylic acid, 19-methyl-2-oxo-, methyl ester, (19«alpha»)-.

Find more compounds similar to 5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione.

Sources

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