N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;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;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide

C127H132N30O20S2 — CID 161358949

IUPACN-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;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;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)N(C)c2nccc(N(C)C)n2)c1.COc1cccc(C(=O)Nc2nccc(Nc3ccccc3)n2)c1.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(S(=O)(=O)N(C)C)cc2)nc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1.Cc1cccc(C(=O)Nc2cc(N3CCOCC3)nc(NC(=O)c3cccc(C)c3)n2)c1.O=C(Nc1cc(N2CCOCC2)nc(NC(=O)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C25H26N6O4.C24H25N5O3.C23H26N6O6S2.C22H21N5O3.C18H16N4O2.C15H18N4O2/c1-15-14-20(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;1-16-5-3-7-18(13-16)22(30)25-20-15-21(29-9-11-32-12-10-29)27-24(26-20)28-23(31)19-8-4-6-17(2)14-19;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;1-24-15-9-5-6-13(12-15)17(23)22-18-19-11-10-16(21-18)20-14-7-3-2-4-8-14;1-18(2)13-8-9-16-15(17-13)19(3)14(20)11-6-5-7-12(10-11)21-4/h6-14H,1-5H3,(H2,26,27,28,29,32,33);3-8,13-15H,9-12H2,1-2H3,(H2,25,26,27,28,30,31);6-14H,1-5H3,(H2,24,25,26,27,30,31);1-10,15H,11-14H2,(H2,23,24,25,26,28,29);2-12H,1H3,(H2,19,20,21,22,23);5-10H,1-4H3
InChIKeyVOXMHUYVEKLYRN-UHFFFAOYSA-N
MW2462.78 g/mol
LogP16.04
Rot. Bonds33

About N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;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;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide

N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;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;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide (PubChem CID 161358949) has the molecular formula C127H132N30O20S2 and a molecular weight of 2462.78 g/mol. Its IUPAC name is N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;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;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;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;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide
PubChem CID161358949
Molecular FormulaC127H132N30O20S2
Molecular Weight2462.78 g/mol
Exact Mass2460.97
IUPAC NameN-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;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;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide
SMILESCOc1cccc(C(=O)N(C)c2nccc(N(C)C)n2)c1.COc1cccc(C(=O)Nc2nccc(Nc3ccccc3)n2)c1.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(S(=O)(=O)N(C)C)cc2)nc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1.Cc1cccc(C(=O)Nc2cc(N3CCOCC3)nc(NC(=O)c3cccc(C)c3)n2)c1.O=C(Nc1cc(N2CCOCC2)nc(NC(=O)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C25H26N6O4.C24H25N5O3.C23H26N6O6S2.C22H21N5O3.C18H16N4O2.C15H18N4O2/c1-15-14-20(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;1-16-5-3-7-18(13-16)22(30)25-20-15-21(29-9-11-32-12-10-29)27-24(26-20)28-23(31)19-8-4-6-17(2)14-19;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;1-24-15-9-5-6-13(12-15)17(23)22-18-19-11-10-16(21-18)20-14-7-3-2-4-8-14;1-18(2)13-8-9-16-15(17-13)19(3)14(20)11-6-5-7-12(10-11)21-4/h6-14H,1-5H3,(H2,26,27,28,29,32,33);3-8,13-15H,9-12H2,1-2H3,(H2,25,26,27,28,30,31);6-14H,1-5H3,(H2,24,25,26,27,30,31);1-10,15H,11-14H2,(H2,23,24,25,26,28,29);2-12H,1H3,(H2,19,20,21,22,23);5-10H,1-4H3
InChIKeyVOXMHUYVEKLYRN-UHFFFAOYSA-N
XLogP16.04
TPSA610.94 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds33
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002462.78
LogP ≤ 516.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Analyze N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;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;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;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;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide?
The IUPAC name of N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;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;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide (CID 161358949) is N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;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;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide.
What is the SMILES notation for N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;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;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide?
The canonical SMILES for N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;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;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide is COc1cccc(C(=O)N(C)c2nccc(N(C)C)n2)c1.COc1cccc(C(=O)Nc2nccc(Nc3ccccc3)n2)c1.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(S(=O)(=O)N(C)C)cc2)nc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1.Cc1cccc(C(=O)Nc2cc(N3CCOCC3)nc(NC(=O)c3cccc(C)c3)n2)c1.O=C(Nc1cc(N2CCOCC2)nc(NC(=O)c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;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;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide?
The InChIKey is VOXMHUYVEKLYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4.C24H25N5O3.C23H26N6O6S2.C22H21N5O3.C18H16N4O2.C15H18N4O2/c1-15-14-20(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;1-16-5-3-7-18(13-16)22(30)25-20-15-21(29-9-11-32-12-10-29)27-24(26-20)28-23(31)19-8-4-6-17(2)14-19;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;1-24-15-9-5-6-13(12-15)17(23)22-18-19-11-10-16(21-18)20-14-7-3-2-4-8-14;1-18(2)13-8-9-16-15(17-13)19(3)14(20)11-6-5-7-12(10-11)21-4/h6-14H,1-5H3,(H2,26,27,28,29,32,33);3-8,13-15H,9-12H2,1-2H3,(H2,25,26,27,28,30,31);6-14H,1-5H3,(H2,24,25,26,27,30,31);1-10,15H,11-14H2,(H2,23,24,25,26,28,29);2-12H,1H3,(H2,19,20,21,22,23);5-10H,1-4H3.
What are the key properties of N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;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;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide?
N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;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;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide has a molecular weight of 2462.78 g/mol, XLogP of 16.04, 33 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;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;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide is sourced from PubChem (CID 161358949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).