1.0 2016-09-30 22:51:13 UTC 2020-04-22 15:09:45 UTC BMDB0002099 BMDB02099 6-Methyladenine 6-MAP 6-Methylaminopurine N6-Methyladenine N6-Monomethyladenine (N-6)-Methyladenine 6-(methylamino)Purine 6-Monomethylaminopurine Methyl(purin-6-yl)amine N-6-Methyladenine N-Methyl-9H-purin-6-amine N-Methyl-adenine N-Methyl-N-(9H-purin-6-yl)amine N-Methyladenine N(6)-Methyladenine 6-Methyladenine C6H7N5 149.1533 149.070145249 N-methyl-7H-purin-6-amine 6-(methylamino)purine 443-72-1 CNC1=NC=NC2=C1NC=N2 InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11) CKOMXBHMKXXTNW-UHFFFAOYSA-N belongs to the class of organic compounds known as 6-alkylaminopurines. 6-alkylaminopurines are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. Organic compounds Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 6-alkylaminopurines Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Imidolactams Organopnictogen compounds Secondary alkylarylamines 6-alkylaminopurine Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Imidazole Imidolactam Organic nitrogen compound Organonitrogen compound Organopnictogen compound Pyrimidine Secondary aliphatic/aromatic amine Secondary amine Aromatic heteropolycyclic compounds 6-alkylaminopurine methyladenine Solid water_solubility 1.18 mg/mL at 20 °C logp 0.19 ALOGPS logs -2.20 ALOGPS logp -0.27 ChemAxon pka_strongest_acidic 10.24 ChemAxon pka_strongest_basic 3.49 ChemAxon iupac N-methyl-7H-purin-6-amine ChemAxon average_mass 149.1533 ChemAxon mono_mass 149.070145249 ChemAxon smiles CNC1=NC=NC2=C1NC=N2 ChemAxon formula C6H7N5 ChemAxon inchi InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11) ChemAxon inchikey CKOMXBHMKXXTNW-UHFFFAOYSA-N ChemAxon polar_surface_area 66.49 ChemAxon refractivity 43.71 ChemAxon polarizability 14.43 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 2 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::CMs 25243 Specdb::CMs 159661 Specdb::NmrTwoD 1793 Specdb::MsIr 1607 Specdb::MsIr 1608 Specdb::MsIr 1609 Specdb::MsMs 6336 Specdb::MsMs 6337 Specdb::MsMs 6338 Specdb::MsMs 6339 Specdb::MsMs 6340 Specdb::MsMs 321922 Specdb::MsMs 321923 Specdb::MsMs 321924 Specdb::MsMs 369673 Specdb::MsMs 369674 Specdb::MsMs 369675 Specdb::MsMs 438161 Specdb::MsMs 438162 Specdb::MsMs 438163 Specdb::MsMs 438164 Specdb::MsMs 438165 Specdb::MsMs 2684310 Specdb::MsMs 2684311 Specdb::MsMs 2684312 Specdb::MsMs 3024015 Specdb::MsMs 3024016 Specdb::MsMs 3024017 Specdb::NmrOneD 1853 Specdb::NmrOneD 148940 Specdb::NmrOneD 148941 Specdb::NmrOneD 148942 Specdb::NmrOneD 148943 Specdb::NmrOneD 148944 Specdb::NmrOneD 148945 Specdb::NmrOneD 148946 Specdb::NmrOneD 148947 Specdb::NmrOneD 148948 Specdb::NmrOneD 148949 Specdb::NmrOneD 148950 Specdb::NmrOneD 148951 Specdb::NmrOneD 148952 Specdb::NmrOneD 148953 Specdb::NmrOneD 148954 Specdb::NmrOneD 148955 Specdb::NmrOneD 148956 Specdb::NmrOneD 148957 Specdb::NmrOneD 148958 Specdb::NmrOneD 148959 FDB022845 61270 67955 C08434 28871 Elion, Gertrude B. Some new N-methylpurines. Ciba Foundation Symposium, Chem. and Biol. Purines (1957), 39-49.