70483559 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 51 8 8 7 7 7 7 7 7 7 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 3 4 4 4 5 5 6 6 7 7 8 8 8 9 9 10 10 10 11 11 11 12 12 13 13 15 16 16 17 17 18 18 20 20 21 21 22 23 24 26 26 26 27 27 27 28 28 28 24 27 25 28 10 11 14 12 13 15 14 16 14 19 15 22 19 41 42 22 23 12 29 30 13 31 32 33 34 35 36 17 18 20 23 37 19 21 24 38 25 39 26 40 25 43 44 45 46 47 48 49 50 51 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 2 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 42 43 44 45 46 47 48 49 50 51 2.868 2.868 8.1301 9.8622 6.3981 7.2641 11.5942 6.3981 12.4602 8.9962 8.1301 9.8622 8.9962 7.2641 10.7282 5.532 10.7282 5.532 6.3981 4.6381 4.6381 12.4602 11.5942 3.732 3.732 13.3263 2.8718 2 8.5976 9.3947 7.9181 7.5195 10.0742 10.4728 9.3947 8.5976 10.1913 4.6453 4.6453 11.5942 6.935 5.8611 13.0163 13.8632 13.6363 3.4918 2.8742 2.2518 2.3079 1.4619 1.6921 0.1792 -1.8692 0.155 1.155 0.155 -1.345 1.155 -2.845 2.655 -0.345 1.155 0.155 1.655 -0.345 1.655 -0.345 2.655 -1.345 -1.845 0.1897 -1.8797 1.655 3.155 -0.3242 -1.3658 1.155 1.1791 -1.3725 -0.8199 -0.8199 1.7376 1.0473 -0.4276 0.2627 2.13 2.13 2.965 0.8096 -2.4996 3.775 -3.155 -3.155 0.6181 0.845 1.6919 1.1768 1.7991 1.1815 -0.8344 -1.0646 -1.9106 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 7 9 9 15 16 16 17 18 18 20 21 24 14 16 14 19 15 22 22 23 17 18 20 23 19 21 24 25 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 505 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 9 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000000000000000000000000000000000000003C58B1000000000000B1FC00001E00100000000C0CC19F063FF6F7481400A003366764008288293122A009D8203EEC988D6EA2C4F8DB94342A6EC01BCAE827B0D0130E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-2-[4-(2-methyl-4-pyrimidinyl)-1-piperazinyl]-4-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [6,7-dimethoxy-2-[4-(2-methylpyrimidin-4-yl)piperazino]quinazolin-4-yl]amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H23N7O2/c1-12-21-5-4-17(22-12)25-6-8-26(9-7-25)19-23-14-11-16(28-3)15(27-2)10-13(14)18(20)24-19/h4-5,10-11H,6-9H2,1-3H3,(H2,20,23,24) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MVLGEYMPKMNEBG-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.19132300 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H23N7O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NC=CC(=N1)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NC=CC(=N1)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 103 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.19132300 28 0 0 0 0 0 0 0 1 -1