66490026 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 6 7 7 9 11 11 11 12 12 13 13 14 14 15 15 16 16 17 8 10 9 10 10 12 27 5 6 18 19 7 20 21 8 22 23 8 9 11 24 25 26 13 14 15 28 16 29 17 30 17 31 32 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 2 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 6.3301 5.4641 4.5981 8.726 8.1424 8.1424 7.1962 7.1962 6.3301 5.4641 6.3301 3.732 2.866 3.732 2 2.866 2 9.1868 9.1868 8.6798 7.8913 7.8913 8.6798 6.9501 6.3301 5.7101 4.5981 2.866 4.269 1.4631 2.866 1.4631 -1.19 0.31 -1.19 -0.19 0.6147 -0.9947 0.31 -0.69 0.81 -0.69 1.81 -0.69 -1.19 0.31 -0.69 0.81 0.31 -0.6047 0.2247 0.924 1.1816 -1.5616 -1.304 1.81 2.43 1.81 -1.81 -1.81 0.62 -1 1.43 0.62 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 7 7 12 12 13 14 15 16 8 10 9 10 8 9 13 14 15 16 17 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 250 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07300000000000000000000000000000001800000003C400000000000005801C000001C00100000000C08811E0033D096C81000A003246264008280292102A0099820306498882822C0D9D184240868900248C8271080000E00000000000000000000000000000000000001000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methyl-<I>N</I>-phenyl-6,7-dihydro-5<I>H</I>-cyclopenta[d]pyrimidin-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-methyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-phenyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H15N3/c1-10-12-8-5-9-13(12)17-14(15-10)16-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,15,16,17) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PUYQVNVUPGOGCT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 225.126597491 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H15N3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 225.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C2CCCC2=NC(=N1)NC3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C2CCCC2=NC(=N1)NC3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 37.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 225.126597491 17 0 0 0 0 0 0 0 1 -1