1-Methyluracil

Details

• Internal ID: 6c7b752b-b676-4257-99d3-36d318b5ebb7
• Taxonomy: Organoheterocyclic compounds > Diazines > Pyrimidines and pyrimidine derivatives > Pyrimidones
• IUPAC Name: 1-methylpyrimidine-2,4-dione
• SMILES (Canonical): CN1C=CC(=O)NC1=O
• SMILES (Isomeric): CN1C=CC(=O)NC1=O
• InChI: InChI=1S/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)
• InChI Key: XBCXJKGHPABGSD-UHFFFAOYSA-N
• Popularity: 412 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₆N₂O₂
• Molecular Weight: 126.11 g/mol
• Exact Mass: 126.042927438 g/mol
• Topological Polar Surface Area (TPSA): 49.40 Ų
• XlogP: -1.20

Synonyms

• 615-77-0
• 1-methylpyrimidine-2,4(1H,3H)-dione
• 1-Methyl-2,4(1H,3H)-pyrimidinedione
• 1-methylpyrimidine-2,4-dione
• Uracil, 1-methyl-
• 2,4(1H,3H)-Pyrimidinedione, 1-methyl-
• NSC44432
• MFCD00038666
• CHEMBL4797970
• 4ZB2484Q0M
• 1-methyl-1h-pyrimidine-2,4-dione
• NSC-44432
• 1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
• NSC 44432
• N1-METHYLURACIL
• 1-Methyluracil, 99%
• SCHEMBL35355
• UNII-4ZB2484Q0M
• SCHEMBL12677264
• CHEBI:69445
• DTXSID90210474
• HMS1741M02
• AMY15029
• BCP07466
• 2,3H)-Pyrimidinedione, 1-methyl-
• BDBM50549810
• GEO-01979
• AKOS001204335
• AT19346
• CS-W011165
• SB57615
• BS-22717
• SY056678
• 1-Methyl-2,4(1H,3H)-pyrimidinedione #
• FT-0608099
• EN300-23560
• 1-METHYL-1H,3H-PYRIMIDINE-2,4-DIONE
• A833314
• W-200459
• Q27137782
• F2185-0048
• Z154666196
• InChI=1/C5H6N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	90.68%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.72%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.66%	96.09%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	89.36%	93.40%
CHEMBL255	P29275	Adenosine A2b receptor	87.16%	98.59%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.69%	94.00%
CHEMBL1937	Q92769	Histone deacetylase 2	81.25%	94.75%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	80.12%	86.92%

Plants that contains it

• Alangium salviifolium
• Melochia pyramidata

Cross-Links

• PubChem: 12009
• LOTUS: LTS0146093
• wikiData: Q27137782