Dihydrothymine
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Dihydrothymine
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CAS No:
696-04-8
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Formula:
C5H8N2O2
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Chemical Name:
Dihydrothymine
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Synonyms:
2,4(1H,3H)-Pyrimidinedione,dihydro-5-methyl-;Hydrouracil,5-methyl-;Dihydro-5-methyl-2,4(1H,3H)-pyrimidinedione;5-Methyl-5,6-dihydrouracil;5,6-Dihydrothymine;Dihydrothymine;5,6-Dihydro-5-methyluracil;NSC 44131;5-Methyldihydropyrimidine-2,4(1H,3H)-dione;2-Hydroxy-5-methyl-5,6-dihydro-1H-pyrimidin-4-one
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CAS No:
Description
5,6-Dihydro-5-methyluracil (Dihydrothymine), an intermediate breakdown product of thymine, comes from animal or plants. 5,6-Dihydro-5-methyluracil (Dihydrothymine) can be toxic when present at abnormally high levels[1].
5,6-dihydrothymine is a pyrimidone obtained by formal addition of hydrogen across the 5,6-position of thymine. It has a role as a metabolite, a human metabolite and a mouse metabolite. It derives from a thymine.
Characteristics
58.2
0.11950
1.149 g/cm3
260 °C
1.452
soluble in dimethyl sulfoxide.
-20°C
131.2 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Dihydrothymine Use and Manufacturing
5,6-Dihydrothymine is a derivative of Thymine, a nucleobase in the nucleic acid of DNA . 5,6-Dihydrothymine is a radiolysis product of DNA.
Computed Properties
Molecular Weight:128.13
XLogP3:-0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:128.058577502
Monoisotopic Mass:128.058577502
Topological Polar Surface Area:58.2
Heavy Atom Count:9
Complexity:155
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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