8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyrimido[5,4-d]pyrimidin-4-one

C26H23ClFN5O2 — CID 170711453

About 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyrimido[5,4-d]pyrimidin-4-one

8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyrimido[5,4-d]pyrimidin-4-one (PubChem CID 170711453) has the molecular formula C26H23ClFN5O2 and a molecular weight of 491.95 g/mol. Its IUPAC name is 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyrimido[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyrimido[5,4-d]pyrimidin-4-one
• PubChem CID: 170711453
• Molecular Formula: C26H23ClFN5O2
• Molecular Weight: 491.95 g/mol
• Exact Mass: 491.15
• IUPAC Name: 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyrimido[5,4-d]pyrimidin-4-one
• SMILES: Cc1nc2c(-c3ccc(Cl)cc3F)nc(N3CCOC4(CCc5ccccc54)C3)nc2c(=O)n1C
• InChI: InChI=1S/C26H23ClFN5O2/c1-15-29-22-21(18-8-7-17(27)13-20(18)28)30-25(31-23(22)24(34)32(15)2)33-11-12-35-26(14-33)10-9-16-5-3-4-6-19(16)26/h3-8,13H,9-12,14H2,1-2H3
• InChIKey: ZMDXQCVXJBBXLE-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 73.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.95
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyrimido[5,4-d]pyrimidin-4-one?

The IUPAC name of 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyrimido[5,4-d]pyrimidin-4-one (CID 170711453) is 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyrimido[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyrimido[5,4-d]pyrimidin-4-one?

The canonical SMILES for 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyrimido[5,4-d]pyrimidin-4-one is Cc1nc2c(-c3ccc(Cl)cc3F)nc(N3CCOC4(CCc5ccccc54)C3)nc2c(=O)n1C.

What is the InChIKey of 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyrimido[5,4-d]pyrimidin-4-one?

The InChIKey is ZMDXQCVXJBBXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN5O2/c1-15-29-22-21(18-8-7-17(27)13-20(18)28)30-25(31-23(22)24(34)32(15)2)33-11-12-35-26(14-33)10-9-16-5-3-4-6-19(16)26/h3-8,13H,9-12,14H2,1-2H3.

What are the key properties of 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyrimido[5,4-d]pyrimidin-4-one?

8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyrimido[5,4-d]pyrimidin-4-one has a molecular weight of 491.95 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyrimido[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 170711453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).