N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea

C211H210N48O29S2 — CID 160905258

IUPACN-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea
SMILESCCNc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2ccc(C(C)(C)C)cc2)n1.CCNc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2cccc(OC)c2)n1.COc1cccc(C(=O)N(C)c2nccc(N(C)C)n2)c1.COc1cccc(C(=O)Nc2nccc(Nc3ccccc3)n2)c1.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(-c3ccccc3)nc(NC(=O)c3cccc(C)c3)n2)c1.Cc1cccc(C(=O)Nc2cc(N3CCOCC3)nc(NC(=O)c3cccc(C)c3)n2)c1.O=C(Nc1cc(N2CCOCC2)nc(NC(=O)c2ccccc2)n1)c1ccccc1.O=C(Nc1ccccc1)Nc1ccnc(NC(=O)Nc2ccccc2)n1.O=C(Nc1ccnc(NC(=O)Oc2ccccc2)n1)Oc1ccccc1
InChIInChI=1S/C26H22N4O2.C25H29N5O2.C24H25N5O3.C23H26N6O6S2.C22H21N5O3.C22H23N5O3.C18H16N6O2.C18H14N4O4.C18H16N4O2.C15H18N4O2/c1-17-8-6-12-20(14-17)24(31)28-23-16-22(19-10-4-3-5-11-19)27-26(29-23)30-25(32)21-13-7-9-18(2)15-21;1-6-26-20-15-21(27-23(32)18-9-7-8-16(2)14-18)29-24(28-20)30-22(31)17-10-12-19(13-11-17)25(3,4)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;1-4-23-18-13-19(24-20(28)15-8-5-7-14(2)11-15)26-22(25-18)27-21(29)16-9-6-10-17(12-16)30-3;25-17(20-13-7-3-1-4-8-13)23-15-11-12-19-16(22-15)24-18(26)21-14-9-5-2-6-10-14;23-17(25-13-7-3-1-4-8-13)21-15-11-12-19-16(20-15)22-18(24)26-14-9-5-2-6-10-14;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/h3-16H,1-2H3,(H2,27,28,29,30,31,32);7-15H,6H2,1-5H3,(H3,26,27,28,29,30,31,32);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);5-13H,4H2,1-3H3,(H3,23,24,25,26,27,28,29);1-12H,(H4,19,20,21,22,23,24,25,26);1-12H,(H2,19,20,21,22,23,24);2-12H,1H3,(H2,19,20,21,22,23);5-10H,1-4H3
InChIKeySQBABQYCIGMTLE-UHFFFAOYSA-N
MW3946.44 g/mol
LogP34.83
Rot. Bonds53

About N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea

N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea (PubChem CID 160905258) has the molecular formula C211H210N48O29S2 and a molecular weight of 3946.44 g/mol. Its IUPAC name is N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea.

Molecular Properties

Compound NameN-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea
PubChem CID160905258
Molecular FormulaC211H210N48O29S2
Molecular Weight3946.44 g/mol
Exact Mass3943.59
IUPAC NameN-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea
SMILESCCNc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2ccc(C(C)(C)C)cc2)n1.CCNc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2cccc(OC)c2)n1.COc1cccc(C(=O)N(C)c2nccc(N(C)C)n2)c1.COc1cccc(C(=O)Nc2nccc(Nc3ccccc3)n2)c1.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(-c3ccccc3)nc(NC(=O)c3cccc(C)c3)n2)c1.Cc1cccc(C(=O)Nc2cc(N3CCOCC3)nc(NC(=O)c3cccc(C)c3)n2)c1.O=C(Nc1cc(N2CCOCC2)nc(NC(=O)c2ccccc2)n1)c1ccccc1.O=C(Nc1ccccc1)Nc1ccnc(NC(=O)Nc2ccccc2)n1.O=C(Nc1ccnc(NC(=O)Oc2ccccc2)n1)Oc1ccccc1
InChIInChI=1S/C26H22N4O2.C25H29N5O2.C24H25N5O3.C23H26N6O6S2.C22H21N5O3.C22H23N5O3.C18H16N6O2.C18H14N4O4.C18H16N4O2.C15H18N4O2/c1-17-8-6-12-20(14-17)24(31)28-23-16-22(19-10-4-3-5-11-19)27-26(29-23)30-25(32)21-13-7-9-18(2)15-21;1-6-26-20-15-21(27-23(32)18-9-7-8-16(2)14-18)29-24(28-20)30-22(31)17-10-12-19(13-11-17)25(3,4)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;1-4-23-18-13-19(24-20(28)15-8-5-7-14(2)11-15)26-22(25-18)27-21(29)16-9-6-10-17(12-16)30-3;25-17(20-13-7-3-1-4-8-13)23-15-11-12-19-16(22-15)24-18(26)21-14-9-5-2-6-10-14;23-17(25-13-7-3-1-4-8-13)21-15-11-12-19-16(20-15)22-18(24)26-14-9-5-2-6-10-14;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/h3-16H,1-2H3,(H2,27,28,29,30,31,32);7-15H,6H2,1-5H3,(H3,26,27,28,29,30,31,32);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);5-13H,4H2,1-3H3,(H3,23,24,25,26,27,28,29);1-12H,(H4,19,20,21,22,23,24,25,26);1-12H,(H2,19,20,21,22,23,24);2-12H,1H3,(H2,19,20,21,22,23);5-10H,1-4H3
InChIKeySQBABQYCIGMTLE-UHFFFAOYSA-N
XLogP34.83
TPSA982.05 Ų
H-Bond Donors22
H-Bond Acceptors55
Rotatable Bonds53
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003946.44
LogP ≤ 534.83
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1055

Analyze N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea with MolForge

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Related Compounds

CID 161591381
CID 161591381
CID 146275040
CID 146275040
CID 157053204
CID 157053204
CID 157073938
CID 157073938
CID 157277821
CID 157277821
CID 157375834
CID 157375834
CID 157590998
CID 157590998
CID 157707370
CID 157707370
CID 157714469
CID 157714469
CID 157799169
CID 157799169
CID 157948171
CID 157948171
CID 158214039
CID 158214039

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-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea?
The IUPAC name of N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea (CID 160905258) is N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea.
What is the SMILES notation for N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea?
The canonical SMILES for N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea is CCNc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2ccc(C(C)(C)C)cc2)n1.CCNc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2cccc(OC)c2)n1.COc1cccc(C(=O)N(C)c2nccc(N(C)C)n2)c1.COc1cccc(C(=O)Nc2nccc(Nc3ccccc3)n2)c1.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(-c3ccccc3)nc(NC(=O)c3cccc(C)c3)n2)c1.Cc1cccc(C(=O)Nc2cc(N3CCOCC3)nc(NC(=O)c3cccc(C)c3)n2)c1.O=C(Nc1cc(N2CCOCC2)nc(NC(=O)c2ccccc2)n1)c1ccccc1.O=C(Nc1ccccc1)Nc1ccnc(NC(=O)Nc2ccccc2)n1.O=C(Nc1ccnc(NC(=O)Oc2ccccc2)n1)Oc1ccccc1.
What is the InChIKey of N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea?
The InChIKey is SQBABQYCIGMTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2.C25H29N5O2.C24H25N5O3.C23H26N6O6S2.C22H21N5O3.C22H23N5O3.C18H16N6O2.C18H14N4O4.C18H16N4O2.C15H18N4O2/c1-17-8-6-12-20(14-17)24(31)28-23-16-22(19-10-4-3-5-11-19)27-26(29-23)30-25(32)21-13-7-9-18(2)15-21;1-6-26-20-15-21(27-23(32)18-9-7-8-16(2)14-18)29-24(28-20)30-22(31)17-10-12-19(13-11-17)25(3,4)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;1-4-23-18-13-19(24-20(28)15-8-5-7-14(2)11-15)26-22(25-18)27-21(29)16-9-6-10-17(12-16)30-3;25-17(20-13-7-3-1-4-8-13)23-15-11-12-19-16(22-15)24-18(26)21-14-9-5-2-6-10-14;23-17(25-13-7-3-1-4-8-13)21-15-11-12-19-16(20-15)22-18(24)26-14-9-5-2-6-10-14;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/h3-16H,1-2H3,(H2,27,28,29,30,31,32);7-15H,6H2,1-5H3,(H3,26,27,28,29,30,31,32);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);5-13H,4H2,1-3H3,(H3,23,24,25,26,27,28,29);1-12H,(H4,19,20,21,22,23,24,25,26);1-12H,(H2,19,20,21,22,23,24);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-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea?
N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-(2-benzamido-6-morpholin-4-ylpyrimidin-4-yl)benzamide;N-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea has a molecular weight of 3946.44 g/mol, XLogP of 34.83, 53 rotatable bonds, 22 hydrogen bond donors, and 55 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-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;4-(dimethylsulfamoyl)-N-[2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-methylpyrimidin-4-yl]benzamide;N-[6-(ethylamino)-2-[(3-methoxybenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate;1-phenyl-3-[2-(phenylcarbamoylamino)pyrimidin-4-yl]urea is sourced from PubChem (CID 160905258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).