Mrv1652304272018282D 9 9 0 0 0 0 999 V2000 0.8250 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -2.1434 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 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7144 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 0.8250 -1.4290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 9 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 M END > <DATABASE_ID> CDB005514 > <DATABASE_NAME> CDB > <SMILES> CCNC1=CN=CN=C1 > <INCHI_IDENTIFIER> InChI=1S/C6H9N3/c1-2-9-6-3-7-5-8-4-6/h3-5,9H,2H2,1H3 > <INCHI_KEY> MGSZTYJMTSIONZ-UHFFFAOYSA-N > <FORMULA> C6H9N3 > <MOLECULAR_WEIGHT> 123.159 > <EXACT_MASS> 123.079647302 > <JCHEM_ACCEPTOR_COUNT> 3 > <JCHEM_ATOM_COUNT> 18 > <JCHEM_AVERAGE_POLARIZABILITY> 13.105010184666497 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> N-ethylpyrimidin-5-amine > <ALOGPS_LOGP> 0.76 > <JCHEM_LOGP> -0.12067846200000008 > <ALOGPS_LOGS> -0.43 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 1 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_BASIC> 1.8530461799290519 > <JCHEM_POLAR_SURFACE_AREA> 37.81 > <JCHEM_REFRACTIVITY> 37.664699999999996 > <JCHEM_ROTATABLE_BOND_COUNT> 2 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 4.58e+01 g/l > <JCHEM_TRADITIONAL_IUPAC> N-ethylpyrimidin-5-amine > <JCHEM_VEBER_RULE> 1 > <Cannabis Database ID> CDB005514 > <GENERIC_NAME> 5-(N-ethyl)aminopyrimidine $$$$