3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione

Details

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Internal ID 9d9e3399-77a5-40a7-bdd7-3a67e11c10f0
Taxonomy Organoheterocyclic compounds > Diazines > Pyrimidines and pyrimidine derivatives > Hydroxypyrimidines
IUPAC Name 3,5-dimethyl-1H-pyrimidine-2,4-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C6H8N2O2/c1-4-3-7-6(10)8(2)5(4)9/h3H,1-2H3,(H,7,10)
InChI Key IIDONYMEGWHGRU-UHFFFAOYSA-N
Popularity 92 references in papers

Physical and Chemical Properties

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Molecular Formula C6H8N2O2
Molecular Weight 140.14 g/mol
Exact Mass 140.058577502 g/mol
Topological Polar Surface Area (TPSA) 49.40 Ų
XlogP -0.40

Synonyms

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4160-77-4
3,5-dimethyl-1H-pyrimidine-2,4-dione
SS2K4WB6YL
NSC-750725
DTXSID90194427
RefChem:910715
DTXCID00116918
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
3,5-dimethyluracil
N3-methylthymine
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5697 Q9GZT9 Egl nine homolog 1 94.36% 93.40%
CHEMBL2581 P07339 Cathepsin D 93.37% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.22% 95.56%
CHEMBL255 P29275 Adenosine A2b receptor 87.93% 98.59%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.64% 94.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.72% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.34% 96.09%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 83.05% 94.78%
CHEMBL4208 P20618 Proteasome component C5 82.88% 90.00%
CHEMBL1937 Q92769 Histone deacetylase 2 82.49% 94.75%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 82.17% 93.65%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 123209
LOTUS LTS0045758
wikiData Q27144890