1.0 2016-09-30 22:53:10 UTC 2020-04-22 15:10:22 UTC BMDB0002249 BMDB02249 6-methyltetrahydropterin 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 2-amino-6-Methyl-5,6,7,8-tetrahydro-4(3H)-pteridinone 6-methyltetrahydro-Pterin 6-Methyltetrahydropterin 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. Organic compounds Organoheterocyclic compounds Pteridines and derivatives Pterins and derivatives Pterins and derivatives 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 Aromatic heteropolycyclic compounds Solid logp -0.93 ALOGPS logs -2.13 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 number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 1710 Specdb::MsIr 1711 Specdb::MsIr 1712 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::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 FDB022927 3012 3124 331648 6572 Whiteley J M; Webber S An abbreviated synthesis of tetrahydropteridines. Analytical biochemistry (1984), 137(2), 394-6.