1.0 2016-10-03 18:21:31 UTC 2020-04-22 15:45:32 UTC BMDB0011600 BMDB11600 3-Methyladenine 3-Methyl-3H-adenine 3-METHYL-3H-purin-6-ylamine 6-Amino-3-methylpurine 3-Methyl-3H-purin-6-amine 3-Methyl-3H-purin-6-amine (acd/name 4.0) 3-Methyl-3H-purin-6-ylamine (acd/name 4.0) 3-Methyl-adenine 3-MA nucleobase N(3)-Methyladenine C6H7N5 149.1533 149.070145249 3-methyl-3H-purin-6-amine 3-methyladenine 5142-23-4 CN1C=NC(N)=C2N=CN=C12 InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3 FSASIHFSFGAIJM-UHFFFAOYSA-N belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. 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-aminopurines Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Imidolactams Organopnictogen compounds Primary amines 6-aminopurine Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Imidazole Imidolactam Organic nitrogen compound Organonitrogen compound Organopnictogen compound Primary amine Pyrimidine Aromatic heteropolycyclic compounds a purine base methyladenine Solid logp -1.14 ALOGPS logs -1.92 ALOGPS logp -0.31 ChemAxon pka_strongest_acidic 17.3 ChemAxon pka_strongest_basic 3.03 ChemAxon iupac 3-methyl-3H-purin-6-amine ChemAxon average_mass 149.1533 ChemAxon mono_mass 149.070145249 ChemAxon smiles CN1C=NC(N)=C2N=CN=C12 ChemAxon formula C6H7N5 ChemAxon inchi InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3 ChemAxon inchikey FSASIHFSFGAIJM-UHFFFAOYSA-N ChemAxon polar_surface_area 69.62 ChemAxon refractivity 41.5 ChemAxon polarizability 14.48 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 1 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 2519 Specdb::MsIr 2520 Specdb::MsIr 2521 Specdb::CMs 875 Specdb::CMs 876 Specdb::CMs 877 Specdb::CMs 878 Specdb::CMs 2614 Specdb::CMs 30166 Specdb::CMs 30253 Specdb::CMs 30447 Specdb::CMs 30907 Specdb::CMs 163954 Specdb::NmrTwoD 1977 Specdb::MsMs 6449 Specdb::MsMs 6450 Specdb::MsMs 6451 Specdb::MsMs 6452 Specdb::MsMs 6453 Specdb::MsMs 6458 Specdb::MsMs 6459 Specdb::MsMs 20843 Specdb::MsMs 20844 Specdb::MsMs 20845 Specdb::MsMs 22394 Specdb::MsMs 22395 Specdb::MsMs 22396 Specdb::MsMs 446480 Specdb::MsMs 446481 Specdb::MsMs 446482 Specdb::MsMs 446483 Specdb::MsMs 446484 Specdb::MsMs 447954 Specdb::MsMs 447955 Specdb::MsMs 451990 Specdb::MsMs 2255624 Specdb::MsMs 2458343 Specdb::MsMs 2458344 Specdb::MsMs 2458345 Specdb::NmrOneD 2043 Specdb::NmrOneD 93352 Specdb::NmrOneD 93353 Specdb::NmrOneD 93354 Specdb::NmrOneD 93355 Specdb::NmrOneD 93356 Specdb::NmrOneD 93357 Specdb::NmrOneD 93358 Specdb::NmrOneD 93359 Specdb::NmrOneD 93360 Specdb::NmrOneD 93361 Specdb::NmrOneD 93362 Specdb::NmrOneD 93363 Specdb::NmrOneD 93364 Specdb::NmrOneD 93365 Specdb::NmrOneD 93366 Specdb::NmrOneD 93367 Specdb::NmrOneD 93368 Specdb::NmrOneD 93369 Specdb::NmrOneD 93370 Specdb::NmrOneD 93371 Specdb::NmrOneD 166577 C00913 1673 FDB028311 1610 DB04104 ADK 38635 3-Methyl-Adenines