31645 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 8 7 7 7 7 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 2 3 3 3 4 4 5 5 6 6 6 7 7 7 8 11 11 11 12 12 12 13 13 13 14 14 14 16 16 16 17 17 17 9 15 15 10 13 14 8 10 9 10 15 16 17 8 9 11 12 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 1 1 2 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 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 3.732 4.5981 7.1962 6.3301 5.4641 2.866 4.5981 5.4641 4.5981 6.3301 3.732 5.4641 8.0622 7.1962 3.732 2.866 2 4.042 3.1951 3.422 6.0841 5.4641 4.8441 8.3722 8.5991 7.7522 6.5762 7.1962 7.8162 2.246 2.866 3.486 2.31 1.4631 1.69 -0.25 -1.75 -0.25 1.25 -0.25 -1.75 1.25 1.75 0.25 0.25 1.75 2.75 0.25 -1.25 -1.25 -2.75 -1.25 2.2869 2.06 1.2131 2.75 3.37 2.75 -0.2869 0.56 0.7869 -1.25 -1.87 -1.25 -2.75 -3.37 -2.75 -0.7131 -0.94 -1.7869 8 8 8 8 8 8 4 4 5 5 7 7 8 10 9 10 8 9 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 270 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E073B0000000000000000000000000000000000000002C0000000000000000018000001E00000000000C08819E04039C97081400A80304607C008088292120A00118203C4C18842E0044E8CA0C16284E021A4060200000000800000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-(dimethylamino)-5,6-dimethyl-pyrimidin-4-yl] N,N-dimethylcarbamate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethylcarbamic acid [2-(dimethylamino)-5,6-dimethyl-4-pyrimidinyl] ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] <I>N</I>,<I>N</I>-dimethylcarbamate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-(dimethylamino)-5,6-dimethyl-pyrimidin-4-yl] N,N-dimethylcarbamate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dimethylcarbamic acid [2-(dimethylamino)-5,6-dimethyl-pyrimidin-4-yl] ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YFGYUFNIOHWBOB-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 238.14297583 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H18N4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 238.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 58.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 238.14297583 17 0 0 0 0 0 0 0 1 -1