63353565 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 4 5 5 5 6 6 7 8 8 9 11 11 12 12 13 13 14 14 15 15 16 17 17 17 7 9 9 10 10 26 27 5 6 7 18 6 19 20 21 22 8 10 23 11 12 13 14 24 15 25 16 17 16 28 29 30 31 32 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 4.732 5.5981 4.732 3 2 2.5 3.866 3.866 5.5981 4.732 6.4641 6.4641 7.3301 7.3301 8.1962 8.1962 7.3301 2.8395 1.8923 1.4174 2.025 2.975 3.3291 5.9272 7.3301 4.1951 5.269 8.7331 8.7331 6.7101 7.3301 7.9501 -0.405 1.095 2.595 -0.405 -0.405 -1.271 0.095 1.095 0.095 1.595 -0.405 -1.405 0.095 -1.905 -0.405 -1.405 -2.905 0.1939 0.2056 -0.6171 -1.6696 -1.6696 1.405 -1.715 0.715 2.905 2.905 -0.095 -1.715 -2.905 -3.525 -2.905 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 7 8 11 11 12 13 14 15 7 9 9 10 8 10 12 13 14 15 16 16 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 264 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07300000000000000000000000018000000000000003C400000000000000001C000001C00100000000D08811F0033B096481000A003266264008280292102A00998203064988828A2C0D9D1842408689002C8C8271080400E00000200000000000000040000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-cyclopropyl-2-(m-tolyl)pyrimidin-4-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-cyclopropyl-2-(3-methylphenyl)-4-pyrimidinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-cyclopropyl-2-(3-methylphenyl)pyrimidin-4-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-cyclopropyl-2-(3-methylphenyl)pyrimidin-4-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-cyclopropyl-2-(3-methylphenyl)pyrimidin-4-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [6-cyclopropyl-2-(m-tolyl)pyrimidin-4-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H15N3/c1-9-3-2-4-11(7-9)14-16-12(10-5-6-10)8-13(15)17-14/h2-4,7-8,10H,5-6H2,1H3,(H2,15,16,17) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 XMKIRXCOSGXUOY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 225.126597491 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C14H15N3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 225.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=CC=C1)C2=NC(=CC(=N2)N)C3CC3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=CC=C1)C2=NC(=CC(=N2)N)C3CC3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 51.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 225.126597491 17 0 0 0 0 0 0 0 1 -1