65421309 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 7 7 9 9 10 11 12 12 13 13 14 14 15 15 16 16 17 8 9 8 10 10 26 27 5 6 7 18 6 8 19 20 21 22 23 24 11 12 11 25 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 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 1 4 5 6 7 18 3 1 5 4 6 8 19 3 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 5.4641 6.3301 5.4641 7.6962 7.1962 8.1962 7.6962 6.3301 4.5981 5.4641 4.5981 3.732 2.866 3.732 2 2.866 2 7.0973 6.7578 8.7788 8.3038 7.0762 7.6962 8.3162 4.0611 4.9272 6.001 2.866 4.269 1.4631 2.866 1.4631 -0.722 0.778 2.278 -1.588 -0.722 -0.722 -2.588 -0.222 -0.222 1.278 0.778 -0.722 -0.222 -1.722 -0.722 -2.222 -1.722 -1.7485 -1.1604 -0.934 -0.1114 -2.588 -3.208 -2.588 1.088 2.588 2.588 0.398 -2.032 -0.412 -2.842 -2.032 8 8 8 8 3 3 8 8 8 8 8 8 8 8 1 1 2 2 4 5 9 10 12 12 13 14 15 16 8 9 8 10 7 8 11 11 13 14 15 16 17 17 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 262 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 00000371C07300000000000000000000000018000000000000003C400000000000000001C000001C00100000000D08811F0033B096481000A003266264008280292102A00998203064988828A2C0D9D1842408689002C8C8271080800E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-methylcyclopropyl)-6-phenyl-pyrimidin-4-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-methylcyclopropyl)-6-phenyl-4-pyrimidinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-methylcyclopropyl)-6-phenylpyrimidin-4-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-methylcyclopropyl)-6-phenylpyrimidin-4-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-methylcyclopropyl)-6-phenyl-pyrimidin-4-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [2-(2-methylcyclopropyl)-6-phenyl-pyrimidin-4-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H15N3/c1-9-7-11(9)14-16-12(8-13(15)17-14)10-5-3-2-4-6-10/h2-6,8-9,11H,7H2,1H3,(H2,15,16,17) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UVAZXGRJXMIIAZ-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 CC1CC1C2=NC(=CC(=N2)N)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1CC1C2=NC(=CC(=N2)N)C3=CC=CC=C3 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 2 0 2 0 0 0 0 1 -1