6-amino-3-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyrimidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-1-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione

C46H42F6N6O9 — CID 160823630

About 6-amino-3-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyrimidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-1-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione

6-amino-3-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyrimidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-1-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 160823630) has the molecular formula C46H42F6N6O9 and a molecular weight of 936.86 g/mol. Its IUPAC name is 6-amino-3-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyrimidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-1-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-amino-3-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyrimidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-1-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 160823630
• Molecular Formula: C46H42F6N6O9
• Molecular Weight: 936.86 g/mol
• Exact Mass: 936.29
• IUPAC Name: 6-amino-3-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyrimidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-1-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
• SMILES: COc1ccc(Cn2c(=O)c(CC(=O)Cc3cccc(OC(F)(F)F)c3)c(N)n(C)c2=O)cc1.COc1ccc(Cn2c(=O)c3c(n(C)c2=O)N=C(Cc2cccc(OC(F)(F)F)c2)C3)cc1
• InChI: InChI=1S/C23H22F3N3O5.C23H20F3N3O4/c1-28-20(27)19(12-16(30)10-15-4-3-5-18(11-15)34-23(24,25)26)21(31)29(22(28)32)13-14-6-8-17(33-2)9-7-14;1-28-20-19(21(30)29(22(28)31)13-14-6-8-17(32-2)9-7-14)12-16(27-20)10-15-4-3-5-18(11-15)33-23(24,25)26/h3-9,11H,10,12-13,27H2,1-2H3;3-9,11H,10,12-13H2,1-2H3
• InChIKey: SFWGGOSTRAWBBP-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 180.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	936.86
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyrimidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-1-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 6-amino-3-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyrimidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-1-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione (CID 160823630) is 6-amino-3-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyrimidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-1-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 6-amino-3-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyrimidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-1-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 6-amino-3-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyrimidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-1-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione is COc1ccc(Cn2c(=O)c(CC(=O)Cc3cccc(OC(F)(F)F)c3)c(N)n(C)c2=O)cc1.COc1ccc(Cn2c(=O)c3c(n(C)c2=O)N=C(Cc2cccc(OC(F)(F)F)c2)C3)cc1.

What is the InChIKey of 6-amino-3-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyrimidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-1-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?

The InChIKey is SFWGGOSTRAWBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O5.C23H20F3N3O4/c1-28-20(27)19(12-16(30)10-15-4-3-5-18(11-15)34-23(24,25)26)21(31)29(22(28)32)13-14-6-8-17(33-2)9-7-14;1-28-20-19(21(30)29(22(28)31)13-14-6-8-17(32-2)9-7-14)12-16(27-20)10-15-4-3-5-18(11-15)33-23(24,25)26/h3-9,11H,10,12-13,27H2,1-2H3;3-9,11H,10,12-13H2,1-2H3.

What are the key properties of 6-amino-3-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyrimidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-1-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione?

6-amino-3-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyrimidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-1-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 936.86 g/mol, XLogP of 5.81, 14 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-3-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-oxo-3-[3-(trifluoromethoxy)phenyl]propyl]pyrimidine-2,4-dione;3-[(4-methoxyphenyl)methyl]-1-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 160823630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).