69668453 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 8 8 7 7 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 1 1 1 1 2 2 3 3 3 4 4 5 5 6 6 6 7 7 7 8 8 8 9 10 10 13 13 14 16 17 17 17 18 18 19 19 19 20 20 20 21 21 21 14 19 15 20 12 16 17 9 12 11 12 11 27 28 16 30 31 9 10 11 13 14 22 15 23 15 18 24 25 26 21 29 32 33 34 38 39 40 35 36 37 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 16 3 7 18 21 29 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 33 34 35 36 37 38 39 40 2.868 2.868 8.1301 6.3981 7.2641 6.3981 9.8622 5.532 5.532 4.6381 6.3981 7.2641 4.6381 3.732 3.732 8.9962 8.1301 8.9962 2 2.8718 9.8622 4.6453 4.6453 8.7501 8.1301 7.5101 6.935 5.8611 8.4592 10.3991 9.8622 2.3079 1.4619 1.6921 9.5522 10.3991 10.1722 3.4918 2.8742 2.2518 -0.8812 1.1671 1.1429 1.1429 -0.3571 -1.8571 1.1429 -0.3571 0.6429 -0.8917 -0.8571 0.6429 1.1776 -0.3779 0.6637 0.6429 2.1429 -0.3571 -0.3846 2.1671 -0.8571 -1.5117 1.7976 2.1429 2.7629 2.1429 -2.1671 -2.1671 -0.6671 0.8329 1.7629 0.1536 -0.0766 -0.9227 -1.394 -1.1671 -0.3201 2.1647 2.7871 2.1695 8 8 8 8 8 8 8 8 8 8 8 1 4 4 5 5 8 8 8 9 10 13 14 16 9 12 11 12 9 10 11 13 14 15 15 18 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 378 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 00000371E073B0000000000000000000000000000000000000003C4000000000000000B1F000001E00100000000C0C819E0633F6F7481400A003266264008288292122A00198203EEC988D2EA2C4F8DB84342A6EC01B4AE827B0D0130E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N2-(1-aminoprop-1-enyl)-6,7-dimethoxy-N2-methyl-quinazoline-2,4-diamine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N2-(1-aminoprop-1-enyl)-6,7-dimethoxy-N2-methylquinazoline-2,4-diamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-<I>N</I>-(1-aminoprop-1-enyl)-6,7-dimethoxy-2-<I>N</I>-methylquinazoline-2,4-diamine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-N-(1-aminoprop-1-enyl)-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N2-(1-azanylprop-1-enyl)-6,7-dimethoxy-N2-methyl-quinazoline-2,4-diamine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (4-amino-6,7-dimethoxy-quinazolin-2-yl)-(1-aminoprop-1-enyl)-methyl-amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H19N5O2/c1-5-12(15)19(2)14-17-9-7-11(21-4)10(20-3)6-8(9)13(16)18-14/h5-7H,15H2,1-4H3,(H2,16,17,18) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 TVGMUHROKJBRFR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 289.15387487 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H19N5O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 289.33 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC=C(N)N(C)C1=NC2=CC(=C(C=C2C(=N1)N)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC=C(N)N(C)C1=NC2=CC(=C(C=C2C(=N1)N)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 99.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 289.15387487 21 0 0 0 1 0 1 0 1 -1