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;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

C148H145N31O18 — CID 159495405

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;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
SMILESCCNc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2ccc(C(C)(C)C)cc2)n1.COc1cccc(C(=O)N(C)c2nccc(N(C)C)n2)c1.COc1cccc(C(=O)Nc2nccc(Nc3ccccc3)n2)c1.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(Nc1ccnc(NC(=O)Oc2ccccc2)n1)Oc1ccccc1
InChIInChI=1S/C26H22N4O2.C25H29N5O2.C24H25N5O3.C22H21N5O3.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;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;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);1-10,15H,11-14H2,(H2,23,24,25,26,28,29);1-12H,(H2,19,20,21,22,23,24);2-12H,1H3,(H2,19,20,21,22,23);5-10H,1-4H3
InChIKeyLYSINQVJYMCKRW-UHFFFAOYSA-N
MW2645.99 g/mol
LogP25.54
Rot. Bonds34

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;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

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;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 (PubChem CID 159495405) has the molecular formula C148H145N31O18 and a molecular weight of 2645.99 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;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.

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;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
PubChem CID159495405
Molecular FormulaC148H145N31O18
Molecular Weight2645.99 g/mol
Exact Mass2644.14
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;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
SMILESCCNc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2ccc(C(C)(C)C)cc2)n1.COc1cccc(C(=O)N(C)c2nccc(N(C)C)n2)c1.COc1cccc(C(=O)Nc2nccc(Nc3ccccc3)n2)c1.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(Nc1ccnc(NC(=O)Oc2ccccc2)n1)Oc1ccccc1
InChIInChI=1S/C26H22N4O2.C25H29N5O2.C24H25N5O3.C22H21N5O3.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;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;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);1-10,15H,11-14H2,(H2,23,24,25,26,28,29);1-12H,(H2,19,20,21,22,23,24);2-12H,1H3,(H2,19,20,21,22,23);5-10H,1-4H3
InChIKeyLYSINQVJYMCKRW-UHFFFAOYSA-N
XLogP25.54
TPSA610.03 Ų
H-Bond Donors13
H-Bond Acceptors37
Rotatable Bonds34
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002645.99
LogP ≤ 525.54
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1037

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;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 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-[2-[(4-tert-butylbenzoyl)amino]-6-(ethylamino)pyrimidin-4-yl]-3-methylbenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-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?
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;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 (CID 159495405) 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;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.
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;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?
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;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 is CCNc1cc(NC(=O)c2cccc(C)c2)nc(NC(=O)c2ccc(C(C)(C)C)cc2)n1.COc1cccc(C(=O)N(C)c2nccc(N(C)C)n2)c1.COc1cccc(C(=O)Nc2nccc(Nc3ccccc3)n2)c1.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(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;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?
The InChIKey is LYSINQVJYMCKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2.C25H29N5O2.C24H25N5O3.C22H21N5O3.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;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;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);1-10,15H,11-14H2,(H2,23,24,25,26,28,29);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;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?
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;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 has a molecular weight of 2645.99 g/mol, XLogP of 25.54, 34 rotatable bonds, 13 hydrogen bond donors, and 37 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;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 is sourced from PubChem (CID 159495405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).