4196030 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 42 43 44 45 46 47 48 49 50 7 7 7 7 6 6 6 6 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 1 1 1 1 1 1 2 2 3 3 4 4 5 5 5 6 7 7 8 8 9 10 10 11 11 11 12 12 12 13 14 15 15 16 16 17 17 18 19 20 20 21 21 22 22 22 23 24 24 25 25 26 26 27 27 28 5 6 11 6 14 8 14 18 19 7 29 30 9 15 16 9 10 31 13 18 32 33 34 13 17 19 35 22 20 36 21 37 24 25 38 39 23 40 23 41 42 43 44 45 26 46 27 47 28 48 28 49 50 1 1 1 2 1 1 2 1 2 1 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 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 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 8.0622 8.9282 8.0622 5.4641 8.9282 8.0622 8.9282 7.1962 7.1962 6.3301 7.1962 4.5981 5.4641 8.9282 9.7942 8.0622 3.732 6.3301 4.5981 9.7942 8.0622 9.7942 8.9282 3.732 2.866 2.866 2 2 9.1403 9.5388 6.6592 7.5062 6.6592 6.8862 5.4641 10.3312 7.5252 6.8671 4.0611 10.3312 7.5252 9.4842 10.3312 10.1042 8.9282 4.269 2.866 2.866 1.4631 1.4631 0.5 -1 -2.5 -4 1 -0.5 2 -2 -1 -2.5 1 -2.5 -2 -2 2.5 2.5 -2 -3.5 -3.5 3.5 3.5 -2.5 4 -1 -2.5 -0.5 -2 -1 0.4174 1.1077 -0.69 1.5369 1.31 0.4631 -1.38 2.19 2.19 -3.81 -3.81 3.81 3.81 -3.0369 -2.81 -1.9631 4.62 -0.69 -3.12 0.12 -2.31 -0.69 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 4 6 7 7 8 10 10 12 12 15 16 17 17 20 21 24 25 26 27 6 14 8 14 18 19 9 15 16 9 13 18 13 19 20 21 24 25 23 23 26 27 28 28 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 458 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B80000000000000000000000000000000000000003C788100000000000001F400001C00000000000C08C11F043FB097081000A003366764008280293102A009D8203864988828E2C0D9D1842408688002C8C8271080C00E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-benzyl-N,2-dimethyl-6-(5-phenyl-3-pyridyl)pyrimidin-4-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N,2-dimethyl-N-(phenylmethyl)-6-(5-phenyl-3-pyridinyl)-4-pyrimidinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-benzyl-<I>N</I>,2-dimethyl-6-(5-phenylpyridin-3-yl)pyrimidin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-benzyl-N,2-dimethyl-6-(5-phenylpyridin-3-yl)pyrimidin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N,2-dimethyl-N-(phenylmethyl)-6-(5-phenylpyridin-3-yl)pyrimidin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 benzyl-methyl-[2-methyl-6-(5-phenyl-3-pyridyl)pyrimidin-4-yl]amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C24H22N4/c1-18-26-23(14-24(27-18)28(2)17-19-9-5-3-6-10-19)22-13-21(15-25-16-22)20-11-7-4-8-12-20/h3-16H,17H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KFZLNALRHSYLSG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.18444672 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C24H22N4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NC(=CC(=N1)N(C)CC2=CC=CC=C2)C3=CN=CC(=C3)C4=CC=CC=C4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NC(=CC(=N1)N(C)CC2=CC=CC=C2)C3=CN=CC(=C3)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 41.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.18444672 28 0 0 0 0 0 0 0 1 -1