1.0 2011-09-21 00:21:49 UTC 2015-07-21 06:57:25 UTC FDB022927 6-Methyltetrahydropterin Cofactor of phenylalanine and tyrosine hydroxylase (S-form) (Combined Chemical Dictionary) [HMDB] 2-Amino-5,6,7,8-tetrahydro-6-methyl-4(1H)-pteridinone 6-Methyl-5,6,7,8-tetrahydrobiopterin 6-Methyl-5,6,7,8-tetrahydropteridine 6-Methyltetrahydropteridine Tyrosine hydroxylase pteridine cofactor C7H11N5O 181.1951 181.096359999 2-amino-6-methyl-1,4,5,6,7,8-hexahydropteridin-4-one 2-amino-6-methyl-5,6,7,8-tetrahydro-1H-pteridin-4-one 942-41-6 CC1CNC2=C(N1)C(=O)N=C(N)N2 InChI=1S/C7H11N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h3,10H,2H2,1H3,(H4,8,9,11,12,13) HWOZEJJVUCALGB-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 Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Primary amines Pyrimidones Secondary alkylarylamines Vinylogous amides Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Pterin Pyrimidine Pyrimidone Secondary aliphatic/aromatic amine Secondary amine Vinylogous amide Solid logp -0.93 ALOGPS logs -2.13 ALOGPS solubility 1.33e+00 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 10.02 ChemAxon pka_strongest_basic 3.72 ChemAxon iupac 2-amino-6-methyl-1,4,5,6,7,8-hexahydropteridin-4-one ChemAxon average_mass 181.1951 ChemAxon mono_mass 181.096359999 ChemAxon smiles CC1CNC2=C(N1)C(=O)N=C(N)N2 ChemAxon formula C7H11N5O ChemAxon inchi InChI=1S/C7H11N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h3,10H,2H2,1H3,(H4,8,9,11,12,13) ChemAxon inchikey HWOZEJJVUCALGB-UHFFFAOYSA-N ChemAxon polar_surface_area 91.54 ChemAxon refractivity 56.51 ChemAxon polarizability 17.9 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 303010 Specdb::MsMs 303011 Specdb::MsMs 303012 Specdb::MsMs 345865 Specdb::MsMs 345866 Specdb::MsMs 345867 Specdb::MsMs 2675779 Specdb::MsMs 2675780 Specdb::MsMs 2675781 Specdb::MsMs 3033857 Specdb::MsMs 3033858 Specdb::MsMs 3033859 Specdb::MsIr 1710 Specdb::MsIr 1711 Specdb::MsIr 1712 Specdb::NmrOneD 115698 Specdb::NmrOneD 115699 Specdb::NmrOneD 115700 Specdb::NmrOneD 115701 Specdb::NmrOneD 115702 Specdb::NmrOneD 115703 Specdb::NmrOneD 115704 Specdb::NmrOneD 115705 Specdb::NmrOneD 115706 Specdb::NmrOneD 115707 Specdb::NmrOneD 115708 Specdb::NmrOneD 115709 Specdb::NmrOneD 115710 Specdb::NmrOneD 115711 Specdb::NmrOneD 115712 Specdb::NmrOneD 115713 Specdb::NmrOneD 115714 Specdb::NmrOneD 115715 Specdb::NmrOneD 115716 Specdb::NmrOneD 115717 Specdb::CMs 16756 Specdb::CMs 131216 Specdb::CMs 138950 HMDB02249 #<Reference:0x000055ce32f51b20> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823