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-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride

C74H84ClF3IN23O14 — CID 158222096

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-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride
SMILESCc1ccc(N)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/C18H22N6O4.C18H24N6O2.C12H9IN4O3.C12H11N5O3.C8H4ClF3O.C6H14N2O/c1-13-2-3-15(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/h2-3,10-12H,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
InChIKeyGDJAXCSRVKOPLY-UHFFFAOYSA-N
MW1738.98 g/mol
LogP9.49
Rot. Bonds22

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-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-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride (PubChem CID 158222096) has the molecular formula C74H84ClF3IN23O14 and a molecular weight of 1738.98 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-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-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride
PubChem CID158222096
Molecular FormulaC74H84ClF3IN23O14
Molecular Weight1738.98 g/mol
Exact Mass1737.53
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-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride
SMILESCc1ccc(N)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/C18H22N6O4.C18H24N6O2.C12H9IN4O3.C12H11N5O3.C8H4ClF3O.C6H14N2O/c1-13-2-3-15(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/h2-3,10-12H,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
InChIKeyGDJAXCSRVKOPLY-UHFFFAOYSA-N
XLogP9.49
TPSA505.54 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001738.98
LogP ≤ 59.49
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

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'}

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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-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-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride (CID 158222096) 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-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-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-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride is Cc1ccc(N)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-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride?
The InChIKey is GDJAXCSRVKOPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O4.C18H24N6O2.C12H9IN4O3.C12H11N5O3.C8H4ClF3O.C6H14N2O/c1-13-2-3-15(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/h2-3,10-12H,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-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-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride has a molecular weight of 1738.98 g/mol, XLogP of 9.49, 22 rotatable bonds, 9 hydrogen bond donors, and 30 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-morpholin-4-ylethanamine;3-(trifluoromethyl)benzoyl chloride is sourced from PubChem (CID 158222096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).