5-amino-2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide;N-(2-aminopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;N-(2-iodopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride

C100H111ClF6IN29O17 — CID 158612653

IUPAC5-amino-2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide;N-(2-aminopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;N-(2-iodopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride
SMILESCc1ccc(N)cc1C(=O)Nc1cnc(NCCN2CCOCC2)nc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(NCCN2CCOCC2)nc1.Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(I)nc1.Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(N)nc1.Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(NCCN2CCOCC2)nc1.NCCN1CCOCC1.O=C(Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H27F3N6O3.C18H22N6O4.C18H24N6O2.C12H9IN4O3.C12H11N5O3.C8H4ClF3O.C6H14N2O/c1-17-5-6-20(33-23(36)18-3-2-4-19(13-18)26(27,28)29)14-22(17)24(37)34-21-15-31-25(32-16-21)30-7-8-35-9-11-38-12-10-35;1-13-2-3-15(24(26)27)10-16(13)17(25)22-14-11-20-18(21-12-14)19-4-5-23-6-8-28-9-7-23;1-13-2-3-14(19)10-16(13)17(25)23-15-11-21-18(22-12-15)20-4-5-24-6-8-26-9-7-24;2*1-7-2-3-9(17(19)20)4-10(7)11(18)16-8-5-14-12(13)15-6-8;9-7(13)5-2-1-3-6(4-5)8(10,11)12;7-1-2-8-3-5-9-6-4-8/h2-6,13-16H,7-12H2,1H3,(H,33,36)(H,34,37)(H,30,31,32);2-3,10-12H,4-9H2,1H3,(H,22,25)(H,19,20,21);2-3,10-12H,4-9,19H2,1H3,(H,23,25)(H,20,21,22);2-6H,1H3,(H,16,18);2-6H,1H3,(H,16,18)(H2,13,14,15);1-4H;1-7H2
InChIKeyHXAJJFFOTOBKMA-UHFFFAOYSA-N
MW2267.52 g/mol
LogP13.55
Rot. Bonds30

About 5-amino-2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide;N-(2-aminopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;N-(2-iodopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride

5-amino-2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide;N-(2-aminopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;N-(2-iodopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride (PubChem CID 158612653) has the molecular formula C100H111ClF6IN29O17 and a molecular weight of 2267.52 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide;N-(2-aminopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;N-(2-iodopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide;N-(2-aminopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;N-(2-iodopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride
PubChem CID158612653
Molecular FormulaC100H111ClF6IN29O17
Molecular Weight2267.52 g/mol
Exact Mass2265.74
IUPAC Name5-amino-2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide;N-(2-aminopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;N-(2-iodopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride
SMILESCc1ccc(N)cc1C(=O)Nc1cnc(NCCN2CCOCC2)nc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(NCCN2CCOCC2)nc1.Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(I)nc1.Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(N)nc1.Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(NCCN2CCOCC2)nc1.NCCN1CCOCC1.O=C(Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H27F3N6O3.C18H22N6O4.C18H24N6O2.C12H9IN4O3.C12H11N5O3.C8H4ClF3O.C6H14N2O/c1-17-5-6-20(33-23(36)18-3-2-4-19(13-18)26(27,28)29)14-22(17)24(37)34-21-15-31-25(32-16-21)30-7-8-35-9-11-38-12-10-35;1-13-2-3-15(24(26)27)10-16(13)17(25)22-14-11-20-18(21-12-14)19-4-5-23-6-8-28-9-7-23;1-13-2-3-14(19)10-16(13)17(25)23-15-11-21-18(22-12-15)20-4-5-24-6-8-26-9-7-24;2*1-7-2-3-9(17(19)20)4-10(7)11(18)16-8-5-14-12(13)15-6-8;9-7(13)5-2-1-3-6(4-5)8(10,11)12;7-1-2-8-3-5-9-6-4-8/h2-6,13-16H,7-12H2,1H3,(H,33,36)(H,34,37)(H,30,31,32);2-3,10-12H,4-9H2,1H3,(H,22,25)(H,19,20,21);2-3,10-12H,4-9,19H2,1H3,(H,23,25)(H,20,21,22);2-6H,1H3,(H,16,18);2-6H,1H3,(H,16,18)(H2,13,14,15);1-4H;1-7H2
InChIKeyHXAJJFFOTOBKMA-UHFFFAOYSA-N
XLogP13.55
TPSA614.02 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds30
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002267.52
LogP ≤ 513.55
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-amino-2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide;N-(2-aminopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;N-(2-iodopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide;N-(2-aminopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;N-(2-iodopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride?
The IUPAC name of 5-amino-2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide;N-(2-aminopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;N-(2-iodopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride (CID 158612653) is 5-amino-2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide;N-(2-aminopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;N-(2-iodopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride.
What is the SMILES notation for 5-amino-2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide;N-(2-aminopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;N-(2-iodopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride?
The canonical SMILES for 5-amino-2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide;N-(2-aminopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;N-(2-iodopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride is Cc1ccc(N)cc1C(=O)Nc1cnc(NCCN2CCOCC2)nc1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(NCCN2CCOCC2)nc1.Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(I)nc1.Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(N)nc1.Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnc(NCCN2CCOCC2)nc1.NCCN1CCOCC1.O=C(Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-amino-2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide;N-(2-aminopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;N-(2-iodopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride?
The InChIKey is HXAJJFFOTOBKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N6O3.C18H22N6O4.C18H24N6O2.C12H9IN4O3.C12H11N5O3.C8H4ClF3O.C6H14N2O/c1-17-5-6-20(33-23(36)18-3-2-4-19(13-18)26(27,28)29)14-22(17)24(37)34-21-15-31-25(32-16-21)30-7-8-35-9-11-38-12-10-35;1-13-2-3-15(24(26)27)10-16(13)17(25)22-14-11-20-18(21-12-14)19-4-5-23-6-8-28-9-7-23;1-13-2-3-14(19)10-16(13)17(25)23-15-11-21-18(22-12-15)20-4-5-24-6-8-26-9-7-24;2*1-7-2-3-9(17(19)20)4-10(7)11(18)16-8-5-14-12(13)15-6-8;9-7(13)5-2-1-3-6(4-5)8(10,11)12;7-1-2-8-3-5-9-6-4-8/h2-6,13-16H,7-12H2,1H3,(H,33,36)(H,34,37)(H,30,31,32);2-3,10-12H,4-9H2,1H3,(H,22,25)(H,19,20,21);2-3,10-12H,4-9,19H2,1H3,(H,23,25)(H,20,21,22);2-6H,1H3,(H,16,18);2-6H,1H3,(H,16,18)(H2,13,14,15);1-4H;1-7H2.
What are the key properties of 5-amino-2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide;N-(2-aminopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;N-(2-iodopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride?
5-amino-2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide;N-(2-aminopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;N-(2-iodopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride has a molecular weight of 2267.52 g/mol, XLogP of 13.55, 30 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide;N-(2-aminopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;N-(2-iodopyrimidin-5-yl)-2-methyl-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-nitrobenzamide;2-methyl-N-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride is sourced from PubChem (CID 158612653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).