3-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide;methane;3-[[4-(4-methylnaphthalen-1-yl)oxypyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoic acid;2-morpholin-4-ylethanamine

C58H61F6N11O7 — CID 159502970

About 3-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide;methane;3-[[4-(4-methylnaphthalen-1-yl)oxypyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoic acid;2-morpholin-4-ylethanamine

3-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide;methane;3-[[4-(4-methylnaphthalen-1-yl)oxypyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoic acid;2-morpholin-4-ylethanamine (PubChem CID 159502970) has the molecular formula C58H61F6N11O7 and a molecular weight of 1138.18 g/mol. Its IUPAC name is 3-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide;methane;3-[[4-(4-methylnaphthalen-1-yl)oxypyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoic acid;2-morpholin-4-ylethanamine.

Molecular Properties

• Compound Name: 3-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide;methane;3-[[4-(4-methylnaphthalen-1-yl)oxypyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoic acid;2-morpholin-4-ylethanamine
• PubChem CID: 159502970
• Molecular Formula: C58H61F6N11O7
• Molecular Weight: 1138.18 g/mol
• Exact Mass: 1137.47
• IUPAC Name: 3-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide;methane;3-[[4-(4-methylnaphthalen-1-yl)oxypyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoic acid;2-morpholin-4-ylethanamine
• SMILES: C.Cc1ccc(Oc2ccnc(Nc3cc(C(=O)O)cc(C(F)(F)F)c3)n2)c2ccccc12.NCCN1CCOCC1.Nc1ccc(Oc2ccnc(Nc3cc(C(=O)NCCN4CCOCC4)cc(C(F)(F)F)c3)n2)c2ccccc12
• InChI: InChI=1S/C28H27F3N6O3.C23H16F3N3O3.C6H14N2O.CH4/c29-28(30,31)19-15-18(26(38)33-9-10-37-11-13-39-14-12-37)16-20(17-19)35-27-34-8-7-25(36-27)40-24-6-5-23(32)21-3-1-2-4-22(21)24;1-13-6-7-19(18-5-3-2-4-17(13)18)32-20-8-9-27-22(29-20)28-16-11-14(21(30)31)10-15(12-16)23(24,25)26;7-1-2-8-3-5-9-6-4-8;/h1-8,15-17H,9-14,32H2,(H,33,38)(H,34,35,36);2-12H,1H3,(H,30,31)(H,27,28,29);1-7H2;1H4
• InChIKey: LZPVVOANBNVWFO-UHFFFAOYSA-N
• XLogP: 10.93
• TPSA: 237.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1138.18
LogP ≤ 5	10.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide;methane;3-[[4-(4-methylnaphthalen-1-yl)oxypyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoic acid;2-morpholin-4-ylethanamine?

The IUPAC name of 3-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide;methane;3-[[4-(4-methylnaphthalen-1-yl)oxypyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoic acid;2-morpholin-4-ylethanamine (CID 159502970) is 3-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide;methane;3-[[4-(4-methylnaphthalen-1-yl)oxypyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoic acid;2-morpholin-4-ylethanamine.

What is the SMILES notation for 3-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide;methane;3-[[4-(4-methylnaphthalen-1-yl)oxypyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoic acid;2-morpholin-4-ylethanamine?

The canonical SMILES for 3-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide;methane;3-[[4-(4-methylnaphthalen-1-yl)oxypyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoic acid;2-morpholin-4-ylethanamine is C.Cc1ccc(Oc2ccnc(Nc3cc(C(=O)O)cc(C(F)(F)F)c3)n2)c2ccccc12.NCCN1CCOCC1.Nc1ccc(Oc2ccnc(Nc3cc(C(=O)NCCN4CCOCC4)cc(C(F)(F)F)c3)n2)c2ccccc12.

What is the InChIKey of 3-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide;methane;3-[[4-(4-methylnaphthalen-1-yl)oxypyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoic acid;2-morpholin-4-ylethanamine?

The InChIKey is LZPVVOANBNVWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N6O3.C23H16F3N3O3.C6H14N2O.CH4/c29-28(30,31)19-15-18(26(38)33-9-10-37-11-13-39-14-12-37)16-20(17-19)35-27-34-8-7-25(36-27)40-24-6-5-23(32)21-3-1-2-4-22(21)24;1-13-6-7-19(18-5-3-2-4-17(13)18)32-20-8-9-27-22(29-20)28-16-11-14(21(30)31)10-15(12-16)23(24,25)26;7-1-2-8-3-5-9-6-4-8;/h1-8,15-17H,9-14,32H2,(H,33,38)(H,34,35,36);2-12H,1H3,(H,30,31)(H,27,28,29);1-7H2;1H4.

What are the key properties of 3-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide;methane;3-[[4-(4-methylnaphthalen-1-yl)oxypyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoic acid;2-morpholin-4-ylethanamine?

3-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide;methane;3-[[4-(4-methylnaphthalen-1-yl)oxypyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoic acid;2-morpholin-4-ylethanamine has a molecular weight of 1138.18 g/mol, XLogP of 10.93, 15 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide;methane;3-[[4-(4-methylnaphthalen-1-yl)oxypyrimidin-2-yl]amino]-5-(trifluoromethyl)benzoic acid;2-morpholin-4-ylethanamine is sourced from PubChem (CID 159502970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).