6-Hydroxymethyl-7,8-dihydropterin

Details

• Internal ID: 019a7291-4a6a-43c0-ab1f-a7940da8edf9
• Taxonomy: Organoheterocyclic compounds > Pteridines and derivatives > Pterins and derivatives
• IUPAC Name: 2-amino-6-(hydroxymethyl)-7,8-dihydro-3H-pteridin-4-one
• SMILES (Canonical): C1C(=NC2=C(N1)N=C(NC2=O)N)CO
• SMILES (Isomeric): C1C(=NC2=C(N1)N=C(NC2=O)N)CO
• InChI: InChI=1S/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14)
• InChI Key: CQQNNQTXUGLUEV-UHFFFAOYSA-N
• Popularity: 54 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₉N₅O₂
• Molecular Weight: 195.18 g/mol
• Exact Mass: 195.07562455 g/mol
• Topological Polar Surface Area (TPSA): 112.00 Ų
• XlogP: -2.00

Synonyms

• 3672-03-5
• B46L5LR2XM
• 7,8-Dihydro-6-(hydroxymethyl)pterin
• 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine
• 2-amino-6-(hydroxymethyl)-7,8-dihydro-3H-pteridin-4-one
• UNII-B46L5LR2XM
• CHEBI:17083
• 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE
• 6-(hydroxymethyl)-7,8-dihydropterin
• 2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4(3H)-one
• 2-amino-7,8-dihydro-6-(hydroxymethyl)-4(3H)-Pteridinone
• 4(3H)-Pteridinone, 2-amino-7,8-dihydro-6-(hydroxymethyl)-
• 2-Amino-6-(hydroxymethyl)-1,4,7,8-tetrahydropteridin-4-one
• 2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol
• 2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-one
• 2qx0
• 4(1H)-pteridinone, 2-amino-7,8-dihydro-6-(hydroxymethyl)-
• SCHEMBL230712
• CHEMBL1233322
• CHEBI:44841
• DTXSID00274264
• DB02119
• PD008538
• C01300
• 2-Amino-4-hydroxy-6-(hydroxymethyl)dihydropteridine
• 2-amino-4-hydroxy-6-hydroxy-methyl-dihydropteridine
• 6-Pteridinemethanol, 2-amino-7,8-dihydro-4-hydroxy-
• Q27093187
• 2-Amino-4-hydroxy-6-(hydroxymethyl)-7,8-dihydropteridine
• 2-Amino-7,8-dihydro-4-hydroxy-6-(hydroxymethyl)pteridine

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	92.99%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.96%	94.45%
CHEMBL1952	P04818	Thymidylate synthase	86.88%	93.53%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.82%	91.11%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	85.74%	93.10%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.29%	97.09%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	81.72%	89.34%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.45%	99.23%
CHEMBL3880	P07900	Heat shock protein HSP 90-alpha	80.28%	96.21%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.11%	85.14%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 135398568
• LOTUS: LTS0141407
• wikiData: Q27093187