N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide

C152H179N29O20S2 — CID 160625284

About N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide

N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide (PubChem CID 160625284) has the molecular formula C152H179N29O20S2 and a molecular weight of 2796.42 g/mol. Its IUPAC name is N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide.

Molecular Properties

• Compound Name: N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide
• PubChem CID: 160625284
• Molecular Formula: C152H179N29O20S2
• Molecular Weight: 2796.42 g/mol
• Exact Mass: 2794.33
• IUPAC Name: N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide
• SMILES: CC(C)(C)c1cc(N2CCOCC2)nc(NC(=O)c2ccccc2)n1.CCCCCCCCOc1ccc(C(=O)Nc2nc(C)cc(NC(=O)c3ccc(C)cc3)n2)cc1.Cc1cc(NC(=O)c2ccc(C(=O)N(C)C)cc2)nc(NC(=O)c2ccc(C(=O)N(C)C)cc2)n1.Cc1cc(NC(=O)c2ccc(C(C)(C)CC(C)(C)C)cc2)nc(NC(=O)c2ccc(C(C)(C)CC(C)(C)C)cc2)n1.Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1.O=C(Nc1cc(N2CCOCC2)nc(NC(=O)c2ccccc2)n1)c1ccccc1
• InChI: InChI=1S/C35H48N4O2.C28H34N4O3.C25H26N6O4.C23H26N6O6S2.C22H21N5O3.C19H24N4O2/c1-23-20-28(37-29(40)24-12-16-26(17-13-24)34(8,9)21-32(2,3)4)38-31(36-23)39-30(41)25-14-18-27(19-15-25)35(10,11)22-33(5,6)7;1-4-5-6-7-8-9-18-35-24-16-14-23(15-17-24)27(34)32-28-29-21(3)19-25(31-28)30-26(33)22-12-10-20(2)11-13-22;1-15-14-20(27-21(32)16-6-10-18(11-7-16)23(34)30(2)3)28-25(26-15)29-22(33)17-8-12-19(13-9-17)24(35)31(4)5;1-15-14-20(25-21(30)16-6-10-18(11-7-16)36(32,33)28(2)3)26-23(24-15)27-22(31)17-8-12-19(13-9-17)37(34,35)29(4)5;28-20(16-7-3-1-4-8-16)23-18-15-19(27-11-13-30-14-12-27)25-22(24-18)26-21(29)17-9-5-2-6-10-17;1-19(2,3)15-13-16(23-9-11-25-12-10-23)21-18(20-15)22-17(24)14-7-5-4-6-8-14/h12-20H,21-22H2,1-11H3,(H2,36,37,38,39,40,41);10-17,19H,4-9,18H2,1-3H3,(H2,29,30,31,32,33,34);6-14H,1-5H3,(H2,26,27,28,29,32,33);6-14H,1-5H3,(H2,24,25,26,27,30,31);1-10,15H,11-14H2,(H2,23,24,25,26,28,29);4-8,13H,9-12H2,1-3H3,(H,20,21,22,24)
• InChIKey: RHFJTOCAEKNRIF-UHFFFAOYSA-N
• XLogP: 25.22
• TPSA: 624.33 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 42
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2796.42
LogP ≤ 5	25.22
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide?

The IUPAC name of N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide (CID 160625284) is N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide.

What is the SMILES notation for N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide?

The canonical SMILES for N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide is CC(C)(C)c1cc(N2CCOCC2)nc(NC(=O)c2ccccc2)n1.CCCCCCCCOc1ccc(C(=O)Nc2nc(C)cc(NC(=O)c3ccc(C)cc3)n2)cc1.Cc1cc(NC(=O)c2ccc(C(=O)N(C)C)cc2)nc(NC(=O)c2ccc(C(=O)N(C)C)cc2)n1.Cc1cc(NC(=O)c2ccc(C(C)(C)CC(C)(C)C)cc2)nc(NC(=O)c2ccc(C(C)(C)CC(C)(C)C)cc2)n1.Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1.O=C(Nc1cc(N2CCOCC2)nc(NC(=O)c2ccccc2)n1)c1ccccc1.

What is the InChIKey of N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide?

The InChIKey is RHFJTOCAEKNRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48N4O2.C28H34N4O3.C25H26N6O4.C23H26N6O6S2.C22H21N5O3.C19H24N4O2/c1-23-20-28(37-29(40)24-12-16-26(17-13-24)34(8,9)21-32(2,3)4)38-31(36-23)39-30(41)25-14-18-27(19-15-25)35(10,11)22-33(5,6)7;1-4-5-6-7-8-9-18-35-24-16-14-23(15-17-24)27(34)32-28-29-21(3)19-25(31-28)30-26(33)22-12-10-20(2)11-13-22;1-15-14-20(27-21(32)16-6-10-18(11-7-16)23(34)30(2)3)28-25(26-15)29-22(33)17-8-12-19(13-9-17)24(35)31(4)5;1-15-14-20(25-21(30)16-6-10-18(11-7-16)36(32,33)28(2)3)26-23(24-15)27-22(31)17-8-12-19(13-9-17)37(34,35)29(4)5;28-20(16-7-3-1-4-8-16)23-18-15-19(27-11-13-30-14-12-27)25-22(24-18)26-21(29)17-9-5-2-6-10-17;1-19(2,3)15-13-16(23-9-11-25-12-10-23)21-18(20-15)22-17(24)14-7-5-4-6-8-14/h12-20H,21-22H2,1-11H3,(H2,36,37,38,39,40,41);10-17,19H,4-9,18H2,1-3H3,(H2,29,30,31,32,33,34);6-14H,1-5H3,(H2,26,27,28,29,32,33);6-14H,1-5H3,(H2,24,25,26,27,30,31);1-10,15H,11-14H2,(H2,23,24,25,26,28,29);4-8,13H,9-12H2,1-3H3,(H,20,21,22,24).

What are the key properties of N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide?

N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide has a molecular weight of 2796.42 g/mol, XLogP of 25.22, 42 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-(4-tert-butyl-6-morpholin-4-ylpyrimidin-2-yl)benzamide;1-N-[2-[[4-(dimethylcarbamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;4-methyl-N-[6-methyl-2-[(4-octoxybenzoyl)amino]pyrimidin-4-yl]benzamide;N-[6-methyl-2-[[4-(2,4,4-trimethylpentan-2-yl)benzoyl]amino]pyrimidin-4-yl]-4-(2,4,4-trimethylpentan-2-yl)benzamide is sourced from PubChem (CID 160625284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).