2-Aminopyrimidine-4-carboxylic acid

Details

• Internal ID: bd21354f-4236-4fac-8ba0-d104e6032195
• Taxonomy: Organoheterocyclic compounds > Diazines > Pyrimidines and pyrimidine derivatives > Pyrimidinecarboxylic acids and derivatives > Pyrimidinecarboxylic acids
• IUPAC Name: 2-aminopyrimidine-4-carboxylic acid
• InChI: InChI=1S/C5H5N3O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)
• InChI Key: GKFPFLBDQJVJIH-UHFFFAOYSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₅N₃O₂
• Molecular Weight: 139.11 g/mol
• Exact Mass: 139.038176411 g/mol
• Topological Polar Surface Area (TPSA): 89.10 Ų
• XlogP: -0.30

Synonyms

• 2164-65-0
• 2-Amino-pyrimidine-4-carboxylic acid
• 2-amino-4-pyrimidinecarboxylic acid
• MFCD07783936
• 4-PYRIMIDINECARBOXYLIC ACID, 2-AMINO-
• NSC61555
• 2-Amino-pyrimidine-4-carboxylicacid
• 2-Amino-4-carboxypyrimidin
• SCHEMBL1457909
• DTXSID10289480
• GKFPFLBDQJVJIH-UHFFFAOYSA-N
• 2-Aminopyrimidine-4-carboxylicacid
• BCP21816
• NSC-61555
• AKOS005263917
• AB42844
• AM84763
• CS-W021582
• PS-5191
• BL000508
• SY021660
• 2-amino-7-methoxy-indan-1-olhydrochloride
• FT-0685554
• A18452
• EN300-116465
• AN-584/43460835
• W-206660

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.24%	96.09%
CHEMBL1811	P34995	Prostanoid EP1 receptor	90.43%	95.71%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	85.89%	94.42%
CHEMBL1293277	O15118	Niemann-Pick C1 protein	84.52%	81.11%
CHEMBL1287628	Q9Y5S8	NADPH oxidase 1	81.55%	95.48%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.45%	86.33%
CHEMBL221	P23219	Cyclooxygenase-1	80.91%	90.17%

Plants that contains it

• Lathyrus tingitanus

Cross-Links

• PubChem: 247194
• LOTUS: LTS0223674
• wikiData: Q72441798