6-(4-fluorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,2,2-trimethyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C28H30FN5O2 — CID 74402066

About 6-(4-fluorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,2,2-trimethyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

6-(4-fluorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,2,2-trimethyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 74402066) has the molecular formula C28H30FN5O2 and a molecular weight of 487.58 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,2,2-trimethyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-(4-fluorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,2,2-trimethyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
• PubChem CID: 74402066
• Molecular Formula: C28H30FN5O2
• Molecular Weight: 487.58 g/mol
• Exact Mass: 487.24
• IUPAC Name: 6-(4-fluorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,2,2-trimethyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
• SMILES: COc1cc(C=C2C(=O)N3C(=NCCC3c3ccc(F)cc3)N(C)C2(C)C)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C28H30FN5O2/c1-18-16-33(17-31-18)24-11-6-19(15-25(24)36-5)14-22-26(35)34-23(20-7-9-21(29)10-8-20)12-13-30-27(34)32(4)28(22,2)3/h6-11,14-17,23H,12-13H2,1-5H3
• InChIKey: WSPUUDIDVXEAGI-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 62.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.58
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,2,2-trimethyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?

The IUPAC name of 6-(4-fluorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,2,2-trimethyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 74402066) is 6-(4-fluorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,2,2-trimethyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 6-(4-fluorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,2,2-trimethyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 6-(4-fluorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,2,2-trimethyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is COc1cc(C=C2C(=O)N3C(=NCCC3c3ccc(F)cc3)N(C)C2(C)C)ccc1-n1cnc(C)c1.

What is the InChIKey of 6-(4-fluorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,2,2-trimethyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?

The InChIKey is WSPUUDIDVXEAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O2/c1-18-16-33(17-31-18)24-11-6-19(15-25(24)36-5)14-22-26(35)34-23(20-7-9-21(29)10-8-20)12-13-30-27(34)32(4)28(22,2)3/h6-11,14-17,23H,12-13H2,1-5H3.

What are the key properties of 6-(4-fluorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,2,2-trimethyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?

6-(4-fluorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,2,2-trimethyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 487.58 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-fluorophenyl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1,2,2-trimethyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 74402066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).