About tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-4-(4-phenoxyphenyl)pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carbonyl chloride;2,4-dichloropyrimidine-5-carboxamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methane;methanol;(4-phenoxyphenyl)boronic acid;4-(4-phenoxyphenyl)-2-piperidin-4-ylpyrimidine-5-carboxamide;4-(4-phenoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)pyrimidine-5-carboxamide;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid
tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-4-(4-phenoxyphenyl)pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carbonyl chloride;2,4-dichloropyrimidine-5-carboxamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methane;methanol;(4-phenoxyphenyl)boronic acid;4-(4-phenoxyphenyl)-2-piperidin-4-ylpyrimidine-5-carboxamide;4-(4-phenoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)pyrimidine-5-carboxamide;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid (PubChem CID 159525626) has the molecular formula C168H175B2Cl7F3N27O32
and a molecular weight of 3411.19 g/mol. Its IUPAC name is tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-4-(4-phenoxyphenyl)pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carbonyl chloride;2,4-dichloropyrimidine-5-carboxamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methane;methanol;(4-phenoxyphenyl)boronic acid;4-(4-phenoxyphenyl)-2-piperidin-4-ylpyrimidine-5-carboxamide;4-(4-phenoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)pyrimidine-5-carboxamide;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-4-(4-phenoxyphenyl)pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carbonyl chloride;2,4-dichloropyrimidine-5-carboxamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methane;methanol;(4-phenoxyphenyl)boronic acid;4-(4-phenoxyphenyl)-2-piperidin-4-ylpyrimidine-5-carboxamide;4-(4-phenoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)pyrimidine-5-carboxamide;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid?
The IUPAC name of tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-4-(4-phenoxyphenyl)pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carbonyl chloride;2,4-dichloropyrimidine-5-carboxamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methane;methanol;(4-phenoxyphenyl)boronic acid;4-(4-phenoxyphenyl)-2-piperidin-4-ylpyrimidine-5-carboxamide;4-(4-phenoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)pyrimidine-5-carboxamide;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid (CID 159525626) is tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-4-(4-phenoxyphenyl)pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carbonyl chloride;2,4-dichloropyrimidine-5-carboxamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methane;methanol;(4-phenoxyphenyl)boronic acid;4-(4-phenoxyphenyl)-2-piperidin-4-ylpyrimidine-5-carboxamide;4-(4-phenoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)pyrimidine-5-carboxamide;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid.
What is the SMILES notation for tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-4-(4-phenoxyphenyl)pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carbonyl chloride;2,4-dichloropyrimidine-5-carboxamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methane;methanol;(4-phenoxyphenyl)boronic acid;4-(4-phenoxyphenyl)-2-piperidin-4-ylpyrimidine-5-carboxamide;4-(4-phenoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)pyrimidine-5-carboxamide;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid?
The canonical SMILES for tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-4-(4-phenoxyphenyl)pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carbonyl chloride;2,4-dichloropyrimidine-5-carboxamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methane;methanol;(4-phenoxyphenyl)boronic acid;4-(4-phenoxyphenyl)-2-piperidin-4-ylpyrimidine-5-carboxamide;4-(4-phenoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)pyrimidine-5-carboxamide;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid is C.C=CC(=O)Cl.C=CC(=O)N1CCC(c2ncc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n2)CC1.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ncc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n2)CC1.CC(C)(C)OC(=O)N1CCC(c2ncc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n2)CC1.CO.NC(=O)c1cnc(C2CCNCC2)nc1-c1ccc(Oc2ccccc2)cc1.NC(=O)c1cnc(Cl)nc1-c1ccc(Oc2ccccc2)cc1.NC(=O)c1cnc(Cl)nc1Cl.O=C(Cl)c1cnc(Cl)nc1Cl.O=C(O)C(F)(F)F.O=C(O)c1c[nH]c(=O)[nH]c1=O.OB(O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-4-(4-phenoxyphenyl)pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carbonyl chloride;2,4-dichloropyrimidine-5-carboxamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methane;methanol;(4-phenoxyphenyl)boronic acid;4-(4-phenoxyphenyl)-2-piperidin-4-ylpyrimidine-5-carboxamide;4-(4-phenoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)pyrimidine-5-carboxamide;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid?
The InChIKey is UTPPDMHSAKQYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4.C27H28N4O4.C25H24N4O3.C22H22N4O2.C17H12ClN3O2.C16H28BNO4.C12H11BO3.C5HCl3N2O.C5H3Cl2N3O.C5H4N2O4.C3H3ClO.C2HF3O2.CH4O.CH4/c2*1-27(2,3)35-26(33)31-15-13-19(14-16-31)25-29-17-22(24(28)32)23(30-25)18-9-11-21(12-10-18)34-20-7-5-4-6-8-20;1-2-22(30)29-14-12-18(13-15-29)25-27-16-21(24(26)31)23(28-25)17-8-10-20(11-9-17)32-19-6-4-3-5-7-19;23-21(27)19-14-25-22(16-10-12-24-13-11-16)26-20(19)15-6-8-18(9-7-15)28-17-4-2-1-3-5-17;18-17-20-10-14(16(19)22)15(21-17)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11;6-3-2(4(7)11)1-9-5(8)10-3;6-3-2(4(8)11)1-9-5(7)10-3;8-3-2(4(9)10)1-6-5(11)7-3;1-2-3(4)5;3-2(4,5)1(6)7;1-2;/h4-12,17,19H,13-16H2,1-3H3,(H2,28,32);4-13,17H,14-16H2,1-3H3,(H2,28,32);2-11,16,18H,1,12-15H2,(H2,26,31);1-9,14,16,24H,10-13H2,(H2,23,27);1-10H,(H2,19,22);8H,9-11H2,1-7H3;1-9,14-15H;1H;1H,(H2,8,11);1H,(H,9,10)(H2,6,7,8,11);2H,1H2;(H,6,7);2H,1H3;1H4.
What are the key properties of tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-4-(4-phenoxyphenyl)pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carbonyl chloride;2,4-dichloropyrimidine-5-carboxamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methane;methanol;(4-phenoxyphenyl)boronic acid;4-(4-phenoxyphenyl)-2-piperidin-4-ylpyrimidine-5-carboxamide;4-(4-phenoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)pyrimidine-5-carboxamide;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid?
tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-4-(4-phenoxyphenyl)pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carbonyl chloride;2,4-dichloropyrimidine-5-carboxamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methane;methanol;(4-phenoxyphenyl)boronic acid;4-(4-phenoxyphenyl)-2-piperidin-4-ylpyrimidine-5-carboxamide;4-(4-phenoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)pyrimidine-5-carboxamide;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid has a molecular weight of 3411.19 g/mol, XLogP of 29.29, 33 rotatable bonds, 14 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-carbamoyl-4-(4-phenoxyphenyl)pyrimidin-2-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-4-(4-phenoxyphenyl)pyrimidine-5-carboxamide;2,4-dichloropyrimidine-5-carbonyl chloride;2,4-dichloropyrimidine-5-carboxamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid;methane;methanol;(4-phenoxyphenyl)boronic acid;4-(4-phenoxyphenyl)-2-piperidin-4-ylpyrimidine-5-carboxamide;4-(4-phenoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)pyrimidine-5-carboxamide;prop-2-enoyl chloride;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159525626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).