6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-5-one

C25H33F3N6O4 — CID 139375567

About 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-5-one

6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-5-one (PubChem CID 139375567) has the molecular formula C25H33F3N6O4 and a molecular weight of 538.57 g/mol. Its IUPAC name is 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-5-one
• PubChem CID: 139375567
• Molecular Formula: C25H33F3N6O4
• Molecular Weight: 538.57 g/mol
• Exact Mass: 538.25
• IUPAC Name: 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-5-one
• SMILES: C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2cnc3nc(N4CCOCC4)ncc3c2=O)C2(CCCC2)C1
• InChI: InChI=1S/C25H33F3N6O4/c1-17(12-25(26,27)28)20(35)33-7-6-24(37,23(14-33)4-2-3-5-23)15-34-16-30-19-18(21(34)36)13-29-22(31-19)32-8-10-38-11-9-32/h13,16-17,37H,2-12,14-15H2,1H3/t17-,24?/m1/s1
• InChIKey: MNYPZSMARSKDFC-BPNWFJGMSA-N
• XLogP: 2.14
• TPSA: 113.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.57
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-5-one?

The IUPAC name of 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-5-one (CID 139375567) is 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-5-one.

What is the SMILES notation for 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-5-one?

The canonical SMILES for 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-5-one is C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(Cn2cnc3nc(N4CCOCC4)ncc3c2=O)C2(CCCC2)C1.

What is the InChIKey of 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-5-one?

The InChIKey is MNYPZSMARSKDFC-BPNWFJGMSA-N. The full InChI is InChI=1S/C25H33F3N6O4/c1-17(12-25(26,27)28)20(35)33-7-6-24(37,23(14-33)4-2-3-5-23)15-34-16-30-19-18(21(34)36)13-29-22(31-19)32-8-10-38-11-9-32/h13,16-17,37H,2-12,14-15H2,1H3/t17-,24?/m1/s1.

What are the key properties of 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-5-one?

6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-5-one has a molecular weight of 538.57 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-5-one is sourced from PubChem (CID 139375567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).