9-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C89H55F12N25O12 — CID 160760116

About 9-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

9-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 160760116) has the molecular formula C89H55F12N25O12 and a molecular weight of 1894.56 g/mol. Its IUPAC name is 9-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

• Compound Name: 9-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
• PubChem CID: 160760116
• Molecular Formula: C89H55F12N25O12
• Molecular Weight: 1894.56 g/mol
• Exact Mass: 1893.43
• IUPAC Name: 9-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
• SMILES: COc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.COc1ncc(-c2ccc3ncc4c(=O)n(C)c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.COc1ncc(-c2ccc3ncc4c(=O)n(CO)c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.Nc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
• InChI: InChI=1S/C23H15F3N6O4.C23H15F3N6O3.C22H13F3N6O3.C21H12F3N7O2/c1-36-21-28-8-12(9-29-21)16-5-6-17-18(30-16)19-15(10-27-17)20(34)31(11-33)22(35)32(19)14-4-2-3-13(7-14)23(24,25)26;1-31-20(33)15-11-27-17-7-6-16(12-9-28-21(35-2)29-10-12)30-18(17)19(15)32(22(31)34)14-5-3-4-13(8-14)23(24,25)26;1-34-20-27-8-11(9-28-20)15-5-6-16-17(29-15)18-14(10-26-16)19(32)30-21(33)31(18)13-4-2-3-12(7-13)22(23,24)25;22-21(23,24)11-2-1-3-12(6-11)31-17-13(18(32)30-20(31)33)9-26-15-5-4-14(29-16(15)17)10-7-27-19(25)28-8-10/h2-10,33H,11H2,1H3;3-11H,1-2H3;2-10H,1H3,(H,30,32,33);1-9H,(H2,25,27,28)(H,30,32,33)
• InChIKey: RXYHOYFCXDKRML-UHFFFAOYSA-N
• XLogP: 11.43
• TPSA: 477.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 12
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1894.56
LogP ≤ 5	11.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?

The IUPAC name of 9-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 160760116) is 9-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

What is the SMILES notation for 9-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?

The canonical SMILES for 9-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is COc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.COc1ncc(-c2ccc3ncc4c(=O)n(C)c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.COc1ncc(-c2ccc3ncc4c(=O)n(CO)c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.Nc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.

What is the InChIKey of 9-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?

The InChIKey is RXYHOYFCXDKRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N6O4.C23H15F3N6O3.C22H13F3N6O3.C21H12F3N7O2/c1-36-21-28-8-12(9-29-21)16-5-6-17-18(30-16)19-15(10-27-17)20(34)31(11-33)22(35)32(19)14-4-2-3-13(7-14)23(24,25)26;1-31-20(33)15-11-27-17-7-6-16(12-9-28-21(35-2)29-10-12)30-18(17)19(15)32(22(31)34)14-5-3-4-13(8-14)23(24,25)26;1-34-20-27-8-11(9-28-20)15-5-6-16-17(29-15)18-14(10-26-16)19(32)30-21(33)31(18)13-4-2-3-12(7-13)22(23,24)25;22-21(23,24)11-2-1-3-12(6-11)31-17-13(18(32)30-20(31)33)9-26-15-5-4-14(29-16(15)17)10-7-27-19(25)28-8-10/h2-10,33H,11H2,1H3;3-11H,1-2H3;2-10H,1H3,(H,30,32,33);1-9H,(H2,25,27,28)(H,30,32,33).

What are the key properties of 9-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?

9-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 1894.56 g/mol, XLogP of 11.43, 12 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2-aminopyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;3-(hydroxymethyl)-9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methoxypyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 160760116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).