217611 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 33 34 35 8 7 7 7 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 1 1 1 1 2 2 2 3 3 4 4 5 5 5 6 6 8 8 8 9 9 10 10 11 12 12 12 13 13 13 14 14 14 15 15 16 16 16 3 16 6 7 9 5 7 7 8 6 10 17 18 19 11 12 13 11 20 14 15 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 3 6 10 17 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 33 34 35 5.9889 4.732 5.6783 3.866 6.2619 5.6783 4.732 3 3.866 7.2619 3 2 2.5 7.7619 7.7619 5.3211 6.5436 6.2156 5.4272 3.866 2.4631 2 1.38 2 1.9631 2.19 3.0369 8.2988 8.0719 7.2249 7.4519 8.3819 4.8596 4.907 5.7826 -1.0055 1.2498 -0.055 -0.2502 0.7498 1.5545 0.2498 0.2498 1.7498 0.7498 1.2498 0.2498 -0.6162 1.6158 -0.1162 -1.7498 0.1975 1.8637 2.1214 2.3698 1.5598 0.8698 0.2498 -0.3702 -0.3062 -1.1532 -0.9262 1.3058 2.1527 1.9258 -0.6532 -0.1162 -1.3357 -2.2112 -2.1638 5 5 10 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 371 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 00000371E0732000000000000000000000000000000160000000200000000000000040000000001E00040000000CA8C10006030003100000A002204664008000012002002900000800088040000089001400000800020000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2R)-2-isopropenyl-1-methoxy-7,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2R)-1-methoxy-7,7-dimethyl-2-(1-methylethenyl)-2,3-dihydroimidazo[1,2-a]pyrimidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2<I>R</I>)-1-methoxy-7,7-dimethyl-2-prop-1-en-2-yl-2,3-dihydroimidazo[1,2-a]pyrimidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2R)-1-methoxy-7,7-dimethyl-2-prop-1-en-2-yl-2,3-dihydroimidazo[1,2-a]pyrimidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2R)-1-methoxy-7,7-dimethyl-2-prop-1-en-2-yl-2,3-dihydroimidazo[1,2-a]pyrimidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2R)-2-isopropenyl-1-methoxy-7,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyrimidine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H19N3O/c1-9(2)10-8-14-7-6-12(3,4)13-11(14)15(10)16-5/h6-7,10H,1,8H2,2-5H3/t10-/m0/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RCNXAKUMTKVCLL-JTQLQIEISA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 221.152812238 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H19N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 221.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=C)C1CN2C=CC(N=C2N1OC)(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=C)[C@@H]1CN2C=CC(N=C2N1OC)(C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 28.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 221.152812238 16 1 1 0 0 0 0 0 1 -1