4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one

C137H123F4N23O24 — CID 158326331

About 4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one

4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one (PubChem CID 158326331) has the molecular formula C137H123F4N23O24 and a molecular weight of 2551.62 g/mol. Its IUPAC name is 4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one.

Molecular Properties

• Compound Name: 4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one
• PubChem CID: 158326331
• Molecular Formula: C137H123F4N23O24
• Molecular Weight: 2551.62 g/mol
• Exact Mass: 2549.90
• IUPAC Name: 4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one
• SMILES: [C-]#[N+]c1cc(COc2cc(N3CCOCC3)n(C)c(=O)n2)ccc1Oc1ccc(F)c(C)c1.[C-]#[N+]c1cc(COc2cc(OC)n(C)c(=O)n2)ccc1Oc1ccc(F)c(C)c1.[C-]#[N+]c1ccc(Oc2ccc(COc3cc(N4CCOCC4)n(C)c(=O)n3)cc2F)cc1C.[C-]#[N+]c1ccc(Oc2ccc(COc3cc(N4CCOCC4)n(C)c(=O)n3)cc2[N+]#[C-])cc1C.[C-]#[N+]c1ccc(Oc2ccc(COc3cc(OC)n(C)c(=O)n3)cc2F)cc1C.[C-]#[N+]c1ccc(Oc2ccc(COc3cc(OC)n(C)c(=O)n3)cc2[N+]#[C-])cc1C
• InChI: InChI=1S/C25H23N5O4.2C24H23FN4O4.C22H18N4O4.2C21H18FN3O4/c1-17-13-19(6-7-20(17)26-2)34-22-8-5-18(14-21(22)27-3)16-33-23-15-24(29(4)25(31)28-23)30-9-11-32-12-10-30;1-16-12-18(5-6-20(16)26-2)33-21-7-4-17(13-19(21)25)15-32-22-14-23(28(3)24(30)27-22)29-8-10-31-11-9-29;1-16-12-18(5-6-19(16)25)33-21-7-4-17(13-20(21)26-2)15-32-22-14-23(28(3)24(30)27-22)29-8-10-31-11-9-29;1-14-10-16(7-8-17(14)23-2)30-19-9-6-15(11-18(19)24-3)13-29-20-12-21(28-5)26(4)22(27)25-20;1-13-9-15(6-7-17(13)23-2)29-18-8-5-14(10-16(18)22)12-28-19-11-20(27-4)25(3)21(26)24-19;1-13-9-15(6-7-16(13)22)29-18-8-5-14(10-17(18)23-2)12-28-19-11-20(27-4)25(3)21(26)24-19/h5-8,13-15H,9-12,16H2,1,4H3;2*4-7,12-14H,8-11,15H2,1,3H3;6-12H,13H2,1,4-5H3;2*5-11H,12H2,1,3-4H3
• InChIKey: GPLKMGPOHHKSDV-UHFFFAOYSA-N
• XLogP: 25.26
• TPSA: 420.08 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 36
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2551.62
LogP ≤ 5	25.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one?

The IUPAC name of 4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one (CID 158326331) is 4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one.

What is the SMILES notation for 4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one?

The canonical SMILES for 4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one is [C-]#[N+]c1cc(COc2cc(N3CCOCC3)n(C)c(=O)n2)ccc1Oc1ccc(F)c(C)c1.[C-]#[N+]c1cc(COc2cc(OC)n(C)c(=O)n2)ccc1Oc1ccc(F)c(C)c1.[C-]#[N+]c1ccc(Oc2ccc(COc3cc(N4CCOCC4)n(C)c(=O)n3)cc2F)cc1C.[C-]#[N+]c1ccc(Oc2ccc(COc3cc(N4CCOCC4)n(C)c(=O)n3)cc2[N+]#[C-])cc1C.[C-]#[N+]c1ccc(Oc2ccc(COc3cc(OC)n(C)c(=O)n3)cc2F)cc1C.[C-]#[N+]c1ccc(Oc2ccc(COc3cc(OC)n(C)c(=O)n3)cc2[N+]#[C-])cc1C.

What is the InChIKey of 4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one?

The InChIKey is GPLKMGPOHHKSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4.2C24H23FN4O4.C22H18N4O4.2C21H18FN3O4/c1-17-13-19(6-7-20(17)26-2)34-22-8-5-18(14-21(22)27-3)16-33-23-15-24(29(4)25(31)28-23)30-9-11-32-12-10-30;1-16-12-18(5-6-20(16)26-2)33-21-7-4-17(13-19(21)25)15-32-22-14-23(28(3)24(30)27-22)29-8-10-31-11-9-29;1-16-12-18(5-6-19(16)25)33-21-7-4-17(13-20(21)26-2)15-32-22-14-23(28(3)24(30)27-22)29-8-10-31-11-9-29;1-14-10-16(7-8-17(14)23-2)30-19-9-6-15(11-18(19)24-3)13-29-20-12-21(28-5)26(4)22(27)25-20;1-13-9-15(6-7-17(13)23-2)29-18-8-5-14(10-16(18)22)12-28-19-11-20(27-4)25(3)21(26)24-19;1-13-9-15(6-7-16(13)22)29-18-8-5-14(10-17(18)23-2)12-28-19-11-20(27-4)25(3)21(26)24-19/h5-8,13-15H,9-12,16H2,1,4H3;2*4-7,12-14H,8-11,15H2,1,3H3;6-12H,13H2,1,4-5H3;2*5-11H,12H2,1,3-4H3.

What are the key properties of 4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one?

4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one has a molecular weight of 2551.62 g/mol, XLogP of 25.26, 36 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-fluoro-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[4-(4-fluoro-3-methylphenoxy)-3-isocyanophenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-6-methoxy-1-methylpyrimidin-2-one;4-[[3-isocyano-4-(4-isocyano-3-methylphenoxy)phenyl]methoxy]-1-methyl-6-morpholin-4-ylpyrimidin-2-one is sourced from PubChem (CID 158326331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).