3,4-bis(hydroxymethyl)-5-methoxy-N-[6-(methylamino)-2-[(3,4,5-trimethoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide;N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-(methylamino)-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide;4-methyl-N-[6-(methylamino)-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide

C270H305N55O47S2 — CID 157434639

IUPAC3,4-bis(hydroxymethyl)-5-methoxy-N-[6-(methylamino)-2-[(3,4,5-trimethoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide;N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-(methylamino)-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide;4-methyl-N-[6-(methylamino)-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide
SMILESCCCCCCCCOc1ccc(C(=O)Nc2nc(NC)cc(NC(=O)c3ccc(C)cc3)n2)cc1.CNc1cc(NC(=O)c2cc(CO)c(CO)c(OC)c2)nc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1.CNc1cc(NC(=O)c2ccc(C(=O)N(C)C)cc2)nc(NC(=O)c2ccc(C(=O)N(C)C)cc2)n1.CNc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)nc(NC(=O)c2ccc(C(C)(C)C)cc2)n1.CNc1cc(NC(=O)c2ccc(C(C)(C)CC(C)(C)C)cc2)nc(NC(=O)c2ccc(C(C)(C)CC(C)(C)C)cc2)n1.CNc1cc(NC(=O)c2ccc(CO)c(CO)c2)nc(NC(=O)c2ccc(OC)c(OC)c2)n1.CNc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1.COc1cc(NC(=O)c2ccc(C)cc2)nc(NC(=O)c2ccc(C)cc2)n1.COc1cc(NC(=O)c2ccccc2C)nc(NC(=O)c2ccccc2C)n1.COc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(CO)cc3)cc(OC)n2)cc1.COc1cccc(C(=O)Nc2nc(NC(=O)c3cccc(CO)c3)cc(OC)n2)c1
InChIInChI=1S/C35H49N5O2.C28H35N5O3.C27H33N5O2.C25H27N7O4.C25H29N5O8.C23H27N7O6S2.C23H25N5O6.2C21H20N4O5.2C21H20N4O3/c1-32(2,3)21-34(7,8)25-16-12-23(13-17-25)29(41)37-28-20-27(36-11)38-31(39-28)40-30(42)24-14-18-26(19-15-24)35(9,10)22-33(4,5)6;1-4-5-6-7-8-9-18-36-23-16-14-22(15-17-23)27(35)33-28-31-24(29-3)19-25(32-28)30-26(34)21-12-10-20(2)11-13-21;1-26(2,3)19-12-8-17(9-13-19)23(33)29-22-16-21(28-7)30-25(31-22)32-24(34)18-10-14-20(15-11-18)27(4,5)6;1-26-19-14-20(27-21(33)15-6-10-17(11-7-15)23(35)31(2)3)29-25(28-19)30-22(34)16-8-12-18(13-9-16)24(36)32(4)5;1-26-20-10-21(27-23(33)13-6-15(11-31)16(12-32)17(7-13)35-2)29-25(28-20)30-24(34)14-8-18(36-3)22(38-5)19(9-14)37-4;1-24-19-14-20(25-21(31)15-6-10-17(11-7-15)37(33,34)29(2)3)27-23(26-19)28-22(32)16-8-12-18(13-9-16)38(35,36)30(4)5;1-24-19-10-20(25-21(31)13-4-5-15(11-29)16(8-13)12-30)27-23(26-19)28-22(32)14-6-7-17(33-2)18(9-14)34-3;1-29-16-9-7-15(8-10-16)20(28)25-21-23-17(11-18(24-21)30-2)22-19(27)14-5-3-13(12-26)4-6-14;1-29-16-8-4-7-15(10-16)20(28)25-21-23-17(11-18(24-21)30-2)22-19(27)14-6-3-5-13(9-14)12-26;1-13-4-8-15(9-5-13)19(26)22-17-12-18(28-3)24-21(23-17)25-20(27)16-10-6-14(2)7-11-16;1-13-8-4-6-10-15(13)19(26)22-17-12-18(28-3)24-21(23-17)25-20(27)16-11-7-5-9-14(16)2/h12-20H,21-22H2,1-11H3,(H3,36,37,38,39,40,41,42);10-17,19H,4-9,18H2,1-3H3,(H3,29,30,31,32,33,34,35);8-16H,1-7H3,(H3,28,29,30,31,32,33,34);6-14H,1-5H3,(H3,26,27,28,29,30,33,34);6-10,31-32H,11-12H2,1-5H3,(H3,26,27,28,29,30,33,34);6-14H,1-5H3,(H3,24,25,26,27,28,31,32);4-10,29-30H,11-12H2,1-3H3,(H3,24,25,26,27,28,31,32);2*3-11,26H,12H2,1-2H3,(H2,22,23,24,25,27,28);2*4-12H,1-3H3,(H2,22,23,24,25,26,27)
InChIKeyBQYKJXLOHHUPOR-UHFFFAOYSA-N
MW5136.88 g/mol
LogP40.35
Rot. Bonds87

About 3,4-bis(hydroxymethyl)-5-methoxy-N-[6-(methylamino)-2-[(3,4,5-trimethoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide;N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-(methylamino)-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide;4-methyl-N-[6-(methylamino)-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide

3,4-bis(hydroxymethyl)-5-methoxy-N-[6-(methylamino)-2-[(3,4,5-trimethoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide;N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-(methylamino)-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide;4-methyl-N-[6-(methylamino)-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide (PubChem CID 157434639) has the molecular formula C270H305N55O47S2 and a molecular weight of 5136.88 g/mol. Its IUPAC name is 3,4-bis(hydroxymethyl)-5-methoxy-N-[6-(methylamino)-2-[(3,4,5-trimethoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide;N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-(methylamino)-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide;4-methyl-N-[6-(methylamino)-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4-bis(hydroxymethyl)-5-methoxy-N-[6-(methylamino)-2-[(3,4,5-trimethoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide;N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-(methylamino)-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide;4-methyl-N-[6-(methylamino)-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide
PubChem CID157434639
Molecular FormulaC270H305N55O47S2
Molecular Weight5136.88 g/mol
Exact Mass5133.26
IUPAC Name3,4-bis(hydroxymethyl)-5-methoxy-N-[6-(methylamino)-2-[(3,4,5-trimethoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide;N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-(methylamino)-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide;4-methyl-N-[6-(methylamino)-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide
SMILESCCCCCCCCOc1ccc(C(=O)Nc2nc(NC)cc(NC(=O)c3ccc(C)cc3)n2)cc1.CNc1cc(NC(=O)c2cc(CO)c(CO)c(OC)c2)nc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1.CNc1cc(NC(=O)c2ccc(C(=O)N(C)C)cc2)nc(NC(=O)c2ccc(C(=O)N(C)C)cc2)n1.CNc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)nc(NC(=O)c2ccc(C(C)(C)C)cc2)n1.CNc1cc(NC(=O)c2ccc(C(C)(C)CC(C)(C)C)cc2)nc(NC(=O)c2ccc(C(C)(C)CC(C)(C)C)cc2)n1.CNc1cc(NC(=O)c2ccc(CO)c(CO)c2)nc(NC(=O)c2ccc(OC)c(OC)c2)n1.CNc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1.COc1cc(NC(=O)c2ccc(C)cc2)nc(NC(=O)c2ccc(C)cc2)n1.COc1cc(NC(=O)c2ccccc2C)nc(NC(=O)c2ccccc2C)n1.COc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(CO)cc3)cc(OC)n2)cc1.COc1cccc(C(=O)Nc2nc(NC(=O)c3cccc(CO)c3)cc(OC)n2)c1
InChIInChI=1S/C35H49N5O2.C28H35N5O3.C27H33N5O2.C25H27N7O4.C25H29N5O8.C23H27N7O6S2.C23H25N5O6.2C21H20N4O5.2C21H20N4O3/c1-32(2,3)21-34(7,8)25-16-12-23(13-17-25)29(41)37-28-20-27(36-11)38-31(39-28)40-30(42)24-14-18-26(19-15-24)35(9,10)22-33(4,5)6;1-4-5-6-7-8-9-18-36-23-16-14-22(15-17-23)27(35)33-28-31-24(29-3)19-25(32-28)30-26(34)21-12-10-20(2)11-13-21;1-26(2,3)19-12-8-17(9-13-19)23(33)29-22-16-21(28-7)30-25(31-22)32-24(34)18-10-14-20(15-11-18)27(4,5)6;1-26-19-14-20(27-21(33)15-6-10-17(11-7-15)23(35)31(2)3)29-25(28-19)30-22(34)16-8-12-18(13-9-16)24(36)32(4)5;1-26-20-10-21(27-23(33)13-6-15(11-31)16(12-32)17(7-13)35-2)29-25(28-20)30-24(34)14-8-18(36-3)22(38-5)19(9-14)37-4;1-24-19-14-20(25-21(31)15-6-10-17(11-7-15)37(33,34)29(2)3)27-23(26-19)28-22(32)16-8-12-18(13-9-16)38(35,36)30(4)5;1-24-19-10-20(25-21(31)13-4-5-15(11-29)16(8-13)12-30)27-23(26-19)28-22(32)14-6-7-17(33-2)18(9-14)34-3;1-29-16-9-7-15(8-10-16)20(28)25-21-23-17(11-18(24-21)30-2)22-19(27)14-5-3-13(12-26)4-6-14;1-29-16-8-4-7-15(10-16)20(28)25-21-23-17(11-18(24-21)30-2)22-19(27)14-6-3-5-13(9-14)12-26;1-13-4-8-15(9-5-13)19(26)22-17-12-18(28-3)24-21(23-17)25-20(27)16-10-6-14(2)7-11-16;1-13-8-4-6-10-15(13)19(26)22-17-12-18(28-3)24-21(23-17)25-20(27)16-11-7-5-9-14(16)2/h12-20H,21-22H2,1-11H3,(H3,36,37,38,39,40,41,42);10-17,19H,4-9,18H2,1-3H3,(H3,29,30,31,32,33,34,35);8-16H,1-7H3,(H3,28,29,30,31,32,33,34);6-14H,1-5H3,(H3,26,27,28,29,30,33,34);6-10,31-32H,11-12H2,1-5H3,(H3,26,27,28,29,30,33,34);6-14H,1-5H3,(H3,24,25,26,27,28,31,32);4-10,29-30H,11-12H2,1-3H3,(H3,24,25,26,27,28,31,32);2*3-11,26H,12H2,1-2H3,(H2,22,23,24,25,27,28);2*4-12H,1-3H3,(H2,22,23,24,25,26,27)
InChIKeyBQYKJXLOHHUPOR-UHFFFAOYSA-N
XLogP40.35
TPSA1364.74 Ų
H-Bond Donors35
H-Bond Acceptors76
Rotatable Bonds87
Heavy Atoms374
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005136.88
LogP ≤ 540.35
H-Bond Donors ≤ 535
H-Bond Acceptors ≤ 1076

Analyze 3,4-bis(hydroxymethyl)-5-methoxy-N-[6-(methylamino)-2-[(3,4,5-trimethoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide;N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-(methylamino)-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide;4-methyl-N-[6-(methylamino)-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(hydroxymethyl)-5-methoxy-N-[6-(methylamino)-2-[(3,4,5-trimethoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide;N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-(methylamino)-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide;4-methyl-N-[6-(methylamino)-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide?
The IUPAC name of 3,4-bis(hydroxymethyl)-5-methoxy-N-[6-(methylamino)-2-[(3,4,5-trimethoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide;N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-(methylamino)-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide;4-methyl-N-[6-(methylamino)-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide (CID 157434639) is 3,4-bis(hydroxymethyl)-5-methoxy-N-[6-(methylamino)-2-[(3,4,5-trimethoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide;N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-(methylamino)-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide;4-methyl-N-[6-(methylamino)-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide.
What is the SMILES notation for 3,4-bis(hydroxymethyl)-5-methoxy-N-[6-(methylamino)-2-[(3,4,5-trimethoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide;N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-(methylamino)-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide;4-methyl-N-[6-(methylamino)-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide?
The canonical SMILES for 3,4-bis(hydroxymethyl)-5-methoxy-N-[6-(methylamino)-2-[(3,4,5-trimethoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide;N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-(methylamino)-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide;4-methyl-N-[6-(methylamino)-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide is CCCCCCCCOc1ccc(C(=O)Nc2nc(NC)cc(NC(=O)c3ccc(C)cc3)n2)cc1.CNc1cc(NC(=O)c2cc(CO)c(CO)c(OC)c2)nc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1.CNc1cc(NC(=O)c2ccc(C(=O)N(C)C)cc2)nc(NC(=O)c2ccc(C(=O)N(C)C)cc2)n1.CNc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)nc(NC(=O)c2ccc(C(C)(C)C)cc2)n1.CNc1cc(NC(=O)c2ccc(C(C)(C)CC(C)(C)C)cc2)nc(NC(=O)c2ccc(C(C)(C)CC(C)(C)C)cc2)n1.CNc1cc(NC(=O)c2ccc(CO)c(CO)c2)nc(NC(=O)c2ccc(OC)c(OC)c2)n1.CNc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1.COc1cc(NC(=O)c2ccc(C)cc2)nc(NC(=O)c2ccc(C)cc2)n1.COc1cc(NC(=O)c2ccccc2C)nc(NC(=O)c2ccccc2C)n1.COc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(CO)cc3)cc(OC)n2)cc1.COc1cccc(C(=O)Nc2nc(NC(=O)c3cccc(CO)c3)cc(OC)n2)c1.
What is the InChIKey of 3,4-bis(hydroxymethyl)-5-methoxy-N-[6-(methylamino)-2-[(3,4,5-trimethoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide;N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-(methylamino)-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide;4-methyl-N-[6-(methylamino)-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide?
The InChIKey is BQYKJXLOHHUPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H49N5O2.C28H35N5O3.C27H33N5O2.C25H27N7O4.C25H29N5O8.C23H27N7O6S2.C23H25N5O6.2C21H20N4O5.2C21H20N4O3/c1-32(2,3)21-34(7,8)25-16-12-23(13-17-25)29(41)37-28-20-27(36-11)38-31(39-28)40-30(42)24-14-18-26(19-15-24)35(9,10)22-33(4,5)6;1-4-5-6-7-8-9-18-36-23-16-14-22(15-17-23)27(35)33-28-31-24(29-3)19-25(32-28)30-26(34)21-12-10-20(2)11-13-21;1-26(2,3)19-12-8-17(9-13-19)23(33)29-22-16-21(28-7)30-25(31-22)32-24(34)18-10-14-20(15-11-18)27(4,5)6;1-26-19-14-20(27-21(33)15-6-10-17(11-7-15)23(35)31(2)3)29-25(28-19)30-22(34)16-8-12-18(13-9-16)24(36)32(4)5;1-26-20-10-21(27-23(33)13-6-15(11-31)16(12-32)17(7-13)35-2)29-25(28-20)30-24(34)14-8-18(36-3)22(38-5)19(9-14)37-4;1-24-19-14-20(25-21(31)15-6-10-17(11-7-15)37(33,34)29(2)3)27-23(26-19)28-22(32)16-8-12-18(13-9-16)38(35,36)30(4)5;1-24-19-10-20(25-21(31)13-4-5-15(11-29)16(8-13)12-30)27-23(26-19)28-22(32)14-6-7-17(33-2)18(9-14)34-3;1-29-16-9-7-15(8-10-16)20(28)25-21-23-17(11-18(24-21)30-2)22-19(27)14-5-3-13(12-26)4-6-14;1-29-16-8-4-7-15(10-16)20(28)25-21-23-17(11-18(24-21)30-2)22-19(27)14-6-3-5-13(9-14)12-26;1-13-4-8-15(9-5-13)19(26)22-17-12-18(28-3)24-21(23-17)25-20(27)16-10-6-14(2)7-11-16;1-13-8-4-6-10-15(13)19(26)22-17-12-18(28-3)24-21(23-17)25-20(27)16-11-7-5-9-14(16)2/h12-20H,21-22H2,1-11H3,(H3,36,37,38,39,40,41,42);10-17,19H,4-9,18H2,1-3H3,(H3,29,30,31,32,33,34,35);8-16H,1-7H3,(H3,28,29,30,31,32,33,34);6-14H,1-5H3,(H3,26,27,28,29,30,33,34);6-10,31-32H,11-12H2,1-5H3,(H3,26,27,28,29,30,33,34);6-14H,1-5H3,(H3,24,25,26,27,28,31,32);4-10,29-30H,11-12H2,1-3H3,(H3,24,25,26,27,28,31,32);2*3-11,26H,12H2,1-2H3,(H2,22,23,24,25,27,28);2*4-12H,1-3H3,(H2,22,23,24,25,26,27).
What are the key properties of 3,4-bis(hydroxymethyl)-5-methoxy-N-[6-(methylamino)-2-[(3,4,5-trimethoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide;N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-(methylamino)-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide;4-methyl-N-[6-(methylamino)-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide?
3,4-bis(hydroxymethyl)-5-methoxy-N-[6-(methylamino)-2-[(3,4,5-trimethoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide;N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-(methylamino)-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide;4-methyl-N-[6-(methylamino)-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide has a molecular weight of 5136.88 g/mol, XLogP of 40.35, 87 rotatable bonds, 35 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(hydroxymethyl)-5-methoxy-N-[6-(methylamino)-2-[(3,4,5-trimethoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-tert-butyl-N-[2-[(4-tert-butylbenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]benzamide;N-[2-[(3,4-dimethoxybenzoyl)amino]-6-(methylamino)pyrimidin-4-yl]-3,4-bis(hydroxymethyl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-(methylamino)pyrimidin-4-yl]benzamide;3-(hydroxymethyl)-N-[6-methoxy-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;4-(hydroxymethyl)-N-[6-methoxy-2-[(4-methoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methoxy-2-[(2-methylbenzoyl)amino]pyrimidin-4-yl]-2-methylbenzamide;N-[6-methoxy-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]-4-methylbenzamide;N-[6-(methylamino)-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide;4-methyl-N-[6-(methylamino)-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 157434639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).