Mrv1652304272018252D 8 8 0 0 0 0 999 V2000 0.4125 -2.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.4290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 5 2 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 3 8 2 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 M END > <DATABASE_ID> CDB005487 > <DATABASE_NAME> CDB > <SMILES> CNC1=CN=CN=C1 > <INCHI_IDENTIFIER> InChI=1S/C5H7N3/c1-6-5-2-7-4-8-3-5/h2-4,6H,1H3 > <INCHI_KEY> XGFYAAUZMZFRRN-UHFFFAOYSA-N > <FORMULA> C5H7N3 > <MOLECULAR_WEIGHT> 109.132 > <EXACT_MASS> 109.063997237 > <JCHEM_ACCEPTOR_COUNT> 3 > <JCHEM_ATOM_COUNT> 15 > <JCHEM_AVERAGE_POLARIZABILITY> 11.026995151174084 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> N-methylpyrimidin-5-amine > <ALOGPS_LOGP> 0.23 > <JCHEM_LOGP> -0.47748641666666664 > <ALOGPS_LOGS> -0.39 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 1 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_BASIC> 1.923256427791872 > <JCHEM_POLAR_SURFACE_AREA> 37.81 > <JCHEM_REFRACTIVITY> 32.9161 > <JCHEM_ROTATABLE_BOND_COUNT> 1 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 4.42e+01 g/l > <JCHEM_TRADITIONAL_IUPAC> N-methylpyrimidin-5-amine > <JCHEM_VEBER_RULE> 1 > <Cannabis Database ID> CDB005487 > <GENERIC_NAME> N-Methylpyrimidin-5-amine $$$$