905708 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 36 37 38 39 40 41 8 7 7 7 6 6 6 6 6 6 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 1 1 2 2 3 3 4 4 4 5 5 5 6 7 7 8 8 9 9 12 12 13 13 14 14 15 15 16 16 16 17 18 19 19 19 20 21 22 23 23 23 24 24 24 6 10 10 22 11 22 11 37 38 6 7 8 9 10 11 12 13 14 15 17 25 18 26 20 27 21 28 17 18 23 29 30 20 21 24 31 32 33 34 35 36 39 40 41 1 1 2 1 1 2 1 1 1 2 1 1 1 1 2 2 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 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 33 34 35 36 37 38 39 40 41 4.6783 2.866 2 2.866 4.6783 5.2619 3.732 4.9889 6.2619 3.732 2.866 5.9674 4.3211 6.7619 6.7619 5.6103 6.2781 4.6318 8.2619 7.7619 7.7619 2 5.9209 9.2619 6.3815 3.7144 6.4519 6.4519 6.8848 4.2177 8.0719 8.0719 1.4631 6.5102 6.1135 5.3316 2.3291 3.403 9.2619 9.8819 9.2619 -2.6081 -2.8034 -1.3034 0.1966 -0.9987 -1.8034 -1.3034 -0.0482 -1.8034 -2.3034 -0.8034 0.1581 0.6961 -2.6694 -0.9374 1.8529 1.1086 1.6467 -1.8034 -2.6694 -0.9374 -2.3034 2.8034 -1.8034 -0.3034 0.5683 -3.2064 -0.4004 1.2364 2.1081 -3.2064 -0.4004 -2.6134 2.6108 3.3927 2.996 0.5066 0.5066 -2.4234 -1.8034 -1.1834 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 3 3 5 5 7 7 8 8 9 9 12 13 14 15 16 16 19 19 6 10 10 22 11 22 6 7 10 11 12 13 14 15 17 18 20 21 17 18 20 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 415 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 00000371E07B20000000000000000000000000000001200000003C608000000000005801FC00001E00100000000C04819A0437B4D6481440A802A37374008288293D20A009D8212C4CD88C2E3AC4FDDB8E3DA8EEC31B48E9E7BCC8F08EC0000000000000008000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,6-bis(p-tolyl)furo[2,3-d]pyrimidin-4-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,6-bis(4-methylphenyl)-4-furo[2,3-d]pyrimidinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [5,6-bis(p-tolyl)furo[2,3-d]pyrimidin-4-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H17N3O/c1-12-3-7-14(8-4-12)16-17-19(21)22-11-23-20(17)24-18(16)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H2,21,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UFVGNLZUNWOIDC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 315.137162174 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H17N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 315.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)N)C4=CC=C(C=C4)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=C(C=C1)C2=C(OC3=NC=NC(=C23)N)C4=CC=C(C=C4)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 64.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 315.137162174 24 0 0 0 0 0 0 0 1 -1