Mrv1652304272018332D 9 9 0 0 0 0 999 V2000 -2.8876 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.7145 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 -1.6500 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 -0.8250 0.0000 0.0000 C 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 -0.4125 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 M END > <DATABASE_ID> CDB005562 > <DATABASE_NAME> CDB > <SMILES> CCCC1=NC=CC=N1 > <INCHI_IDENTIFIER> InChI=1S/C7H10N2/c1-2-4-7-8-5-3-6-9-7/h3,5-6H,2,4H2,1H3 > <INCHI_KEY> YVHDMQRVTVCDAS-UHFFFAOYSA-N > <FORMULA> C7H10N2 > <MOLECULAR_WEIGHT> 122.171 > <EXACT_MASS> 122.08439833 > <JCHEM_ACCEPTOR_COUNT> 2 > <JCHEM_ATOM_COUNT> 19 > <JCHEM_AVERAGE_POLARIZABILITY> 13.843935901029262 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 2-propylpyrimidine > <ALOGPS_LOGP> 1.29 > <JCHEM_LOGP> 1.6239318663333333 > <ALOGPS_LOGS> -0.13 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 1 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_BASIC> 2.4054126637799613 > <JCHEM_POLAR_SURFACE_AREA> 25.78 > <JCHEM_REFRACTIVITY> 36.5746 > <JCHEM_ROTATABLE_BOND_COUNT> 2 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 9.10e+01 g/l > <JCHEM_TRADITIONAL_IUPAC> 2-propylpyrimidine > <JCHEM_VEBER_RULE> 1 > <Cannabis Database ID> CDB005562 > <GENERIC_NAME> 2-Propylpyrimidine $$$$