6-[2,2-dimethyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one

C27H26F4N6O2 — CID 170711647

About 6-[2,2-dimethyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one

6-[2,2-dimethyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one (PubChem CID 170711647) has the molecular formula C27H26F4N6O2 and a molecular weight of 542.54 g/mol. Its IUPAC name is 6-[2,2-dimethyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[2,2-dimethyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
• PubChem CID: 170711647
• Molecular Formula: C27H26F4N6O2
• Molecular Weight: 542.54 g/mol
• Exact Mass: 542.21
• IUPAC Name: 6-[2,2-dimethyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
• SMILES: Cc1cc(C2CN(c3nc(-c4ccc(C(F)(F)F)cc4F)c4nc(C)n(C)c(=O)c4n3)CC(C)(C)O2)ccn1
• InChI: InChI=1S/C27H26F4N6O2/c1-14-10-16(8-9-32-14)20-12-37(13-26(3,4)39-20)25-34-21(18-7-6-17(11-19(18)28)27(29,30)31)22-23(35-25)24(38)36(5)15(2)33-22/h6-11,20H,12-13H2,1-5H3
• InChIKey: GKUSAGDJSVMYNJ-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 86.03 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.54
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[2,2-dimethyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one?

The IUPAC name of 6-[2,2-dimethyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one (CID 170711647) is 6-[2,2-dimethyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 6-[2,2-dimethyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one?

The canonical SMILES for 6-[2,2-dimethyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one is Cc1cc(C2CN(c3nc(-c4ccc(C(F)(F)F)cc4F)c4nc(C)n(C)c(=O)c4n3)CC(C)(C)O2)ccn1.

What is the InChIKey of 6-[2,2-dimethyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one?

The InChIKey is GKUSAGDJSVMYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F4N6O2/c1-14-10-16(8-9-32-14)20-12-37(13-26(3,4)39-20)25-34-21(18-7-6-17(11-19(18)28)27(29,30)31)22-23(35-25)24(38)36(5)15(2)33-22/h6-11,20H,12-13H2,1-5H3.

What are the key properties of 6-[2,2-dimethyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one?

6-[2,2-dimethyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one has a molecular weight of 542.54 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2,2-dimethyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 170711647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).