1.0 2010-04-08 22:06:44 UTC 2025-11-18 22:59:26 UTC FDB005544 6-Hydroxymethylpterin 6-hydroxymethylpterin, also known as 2-amino-6-(hydroxymethyl)-4(1h)-pteridinone, belongs to pterins and derivatives class of compounds. Those are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one. 6-hydroxymethylpterin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6-hydroxymethylpterin can be found in soy bean, which makes 6-hydroxymethylpterin a potential biomarker for the consumption of this food product. C7H7N5O2 193.1628 193.059974493 2-amino-6-(hydroxymethyl)-3,4-dihydropteridin-4-one 6-hydroxymethylpterin NC1=NC2=NC=C(CO)N=C2C(=O)N1 InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14) XGWIBNWDLMIPNF-UHFFFAOYSA-N belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one. Pterins and derivatives Organic compounds Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives Aromatic heteropolycyclic compounds Aminopyrimidines and derivatives Aromatic alcohols Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols Primary amines Pyrazines Pyrimidones Vinylogous amides Alcohol Amine Aminopyrimidine Aromatic alcohol Aromatic heteropolycyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Primary amine Pterin Pyrazine Pyrimidine Pyrimidone Vinylogous amide logp -1.11 ALOGPS logs -2.03 ALOGPS solubility 1.80e+00 g/l ALOGPS logp -1.6 ChemAxon pka_strongest_acidic 9.99 ChemAxon pka_strongest_basic 1.2 ChemAxon iupac 2-amino-6-(hydroxymethyl)-3,4-dihydropteridin-4-one ChemAxon average_mass 193.1628 ChemAxon mono_mass 193.059974493 ChemAxon smiles NC1=NC2=NC=C(CO)N=C2C(=O)N1 ChemAxon formula C7H7N5O2 ChemAxon inchi InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14) ChemAxon inchikey XGWIBNWDLMIPNF-UHFFFAOYSA-N ChemAxon polar_surface_area 113.49 ChemAxon refractivity 48.11 ChemAxon polarizability 17.69 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 112900 Specdb::CMs 126498 Specdb::CMs 827743 Specdb::CMs 827744 Specdb::CMs 827745 Specdb::CMs 827746 Specdb::CMs 827747 Specdb::CMs 827748 Specdb::MsMs 108513 Specdb::MsMs 108514 Specdb::MsMs 108515 Specdb::MsMs 175755 Specdb::MsMs 175756 Specdb::MsMs 175757 Specdb::MsMs 3409122 Specdb::MsMs 3409123 Specdb::MsMs 3409124 Specdb::MsMs 3409125 Specdb::MsMs 3409126 Specdb::MsMs 3409127 Specdb::NmrOneD 200687 Specdb::NmrOneD 200688 Specdb::NmrOneD 200689 Specdb::NmrOneD 200690 Specdb::NmrOneD 200691 Specdb::NmrOneD 200692 Specdb::NmrOneD 200693 Specdb::NmrOneD 200694 Specdb::NmrOneD 200695 Specdb::NmrOneD 200696 Specdb::NmrOneD 200697 Specdb::NmrOneD 200698 Specdb::NmrOneD 200699 Specdb::NmrOneD 200700 Specdb::NmrOneD 200701 Specdb::NmrOneD 200702 Specdb::NmrOneD 200703 Specdb::NmrOneD 200704 Specdb::NmrOneD 200705 Specdb::NmrOneD 200706 Soy bean Type 1 specific Glycine max 3847