Mrv1652304272018142D 7 7 0 0 0 0 999 V2000 0.8250 -1.4290 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 1 5 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 5 1 0 0 0 0 3 7 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 M END > <DATABASE_ID> CDB005374 > <DATABASE_NAME> CDB > <SMILES> CC1=CN=CN=C1 > <INCHI_IDENTIFIER> InChI=1S/C5H6N2/c1-5-2-6-4-7-3-5/h2-4H,1H3 > <INCHI_KEY> TWGNOYAGHYUFFR-UHFFFAOYSA-N > <FORMULA> C5H6N2 > <MOLECULAR_WEIGHT> 94.117 > <EXACT_MASS> 94.053098201 > <JCHEM_ACCEPTOR_COUNT> 2 > <JCHEM_ATOM_COUNT> 13 > <JCHEM_AVERAGE_POLARIZABILITY> 9.658546416489614 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 5-methylpyrimidine > <ALOGPS_LOGP> 0.04 > <JCHEM_LOGP> 0.5631568453333334 > <ALOGPS_LOGS> 0.53 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 1 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_BASIC> 1.5155324189307025 > <JCHEM_POLAR_SURFACE_AREA> 25.78 > <JCHEM_REFRACTIVITY> 27.7635 > <JCHEM_ROTATABLE_BOND_COUNT> 0 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 3.16e+02 g/l > <JCHEM_TRADITIONAL_IUPAC> pyrimidine, 5-methyl- > <JCHEM_VEBER_RULE> 1 > <Cannabis Database ID> CDB005374 > <GENERIC_NAME> 5-Methylpyrimidine $$$$