7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-bromo-5-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-8-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[(2-phenylphenoxy)methyl]pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[[4-(trifluoromethyl)phenoxy]methyl]pteridine-2,4-dione

C151H181Br2ClF4N26O24 — CID 159869124

About 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-bromo-5-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-8-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[(2-phenylphenoxy)methyl]pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[[4-(trifluoromethyl)phenoxy]methyl]pteridine-2,4-dione

7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-bromo-5-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-8-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[(2-phenylphenoxy)methyl]pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[[4-(trifluoromethyl)phenoxy]methyl]pteridine-2,4-dione (PubChem CID 159869124) has the molecular formula C151H181Br2ClF4N26O24 and a molecular weight of 3015.52 g/mol. Its IUPAC name is 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-bromo-5-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-8-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[(2-phenylphenoxy)methyl]pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[[4-(trifluoromethyl)phenoxy]methyl]pteridine-2,4-dione.

Molecular Properties

• Compound Name: 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-bromo-5-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-8-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[(2-phenylphenoxy)methyl]pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[[4-(trifluoromethyl)phenoxy]methyl]pteridine-2,4-dione
• PubChem CID: 159869124
• Molecular Formula: C151H181Br2ClF4N26O24
• Molecular Weight: 3015.52 g/mol
• Exact Mass: 3011.17
• IUPAC Name: 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-bromo-5-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-8-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[(2-phenylphenoxy)methyl]pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[[4-(trifluoromethyl)phenoxy]methyl]pteridine-2,4-dione
• SMILES: CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cc(F)ccc3Br)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccc(C(F)(F)F)cc3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccc(Cl)cc3Br)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccc4cccnc4c3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4ccncc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccccc3-c3ccccc3)nc21
• InChI: InChI=1S/C29H34N4O4.2C26H31N5O4.C24H29F3N4O4.C23H28BrClN4O4.C23H28BrFN4O4/c1-20(2)18-33-27-26(28(35)32(3)29(33)36)30-23(15-8-5-11-17-34)24(31-27)19-37-25-16-10-9-14-22(25)21-12-6-4-7-13-21;1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(9-5-4-6-13-32)22(29-24)16-35-19-11-10-18-8-7-12-27-21(18)14-19;1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(9-5-4-6-13-32)21(29-24)16-35-22-10-7-8-18-11-12-27-14-19(18)22;1-15(2)13-31-21-20(22(33)30(3)23(31)34)28-18(7-5-4-6-12-32)19(29-21)14-35-17-10-8-16(9-11-17)24(25,26)27;1-14(2)12-29-21-20(22(31)28(3)23(29)32)26-17(7-5-4-6-10-30)18(27-21)13-33-19-9-8-15(25)11-16(19)24;1-14(2)12-29-21-20(22(31)28(3)23(29)32)26-17(7-5-4-6-10-30)18(27-21)13-33-19-11-15(25)8-9-16(19)24/h4,6-7,9-10,12-14,16,20,34H,5,8,11,15,17-19H2,1-3H3;2*7-8,10-12,14,17,32H,4-6,9,13,15-16H2,1-3H3;8-11,15,32H,4-7,12-14H2,1-3H3;2*8-9,11,14,30H,4-7,10,12-13H2,1-3H3
• InChIKey: NSCNIOFZRKBYRF-UHFFFAOYSA-N
• XLogP: 20.68
• TPSA: 621.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 50
• Rotatable Bonds: 61
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3015.52
LogP ≤ 5	20.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-bromo-5-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-8-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[(2-phenylphenoxy)methyl]pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[[4-(trifluoromethyl)phenoxy]methyl]pteridine-2,4-dione?

The IUPAC name of 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-bromo-5-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-8-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[(2-phenylphenoxy)methyl]pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[[4-(trifluoromethyl)phenoxy]methyl]pteridine-2,4-dione (CID 159869124) is 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-bromo-5-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-8-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[(2-phenylphenoxy)methyl]pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[[4-(trifluoromethyl)phenoxy]methyl]pteridine-2,4-dione.

What is the SMILES notation for 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-bromo-5-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-8-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[(2-phenylphenoxy)methyl]pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[[4-(trifluoromethyl)phenoxy]methyl]pteridine-2,4-dione?

The canonical SMILES for 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-bromo-5-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-8-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[(2-phenylphenoxy)methyl]pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[[4-(trifluoromethyl)phenoxy]methyl]pteridine-2,4-dione is CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cc(F)ccc3Br)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccc(C(F)(F)F)cc3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccc(Cl)cc3Br)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccc4cccnc4c3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3cccc4ccncc34)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCCO)c(COc3ccccc3-c3ccccc3)nc21.

What is the InChIKey of 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-bromo-5-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-8-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[(2-phenylphenoxy)methyl]pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[[4-(trifluoromethyl)phenoxy]methyl]pteridine-2,4-dione?

The InChIKey is NSCNIOFZRKBYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O4.2C26H31N5O4.C24H29F3N4O4.C23H28BrClN4O4.C23H28BrFN4O4/c1-20(2)18-33-27-26(28(35)32(3)29(33)36)30-23(15-8-5-11-17-34)24(31-27)19-37-25-16-10-9-14-22(25)21-12-6-4-7-13-21;1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(9-5-4-6-13-32)22(29-24)16-35-19-11-10-18-8-7-12-27-21(18)14-19;1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(9-5-4-6-13-32)21(29-24)16-35-22-10-7-8-18-11-12-27-14-19(18)22;1-15(2)13-31-21-20(22(33)30(3)23(31)34)28-18(7-5-4-6-12-32)19(29-21)14-35-17-10-8-16(9-11-17)24(25,26)27;1-14(2)12-29-21-20(22(31)28(3)23(29)32)26-17(7-5-4-6-10-30)18(27-21)13-33-19-9-8-15(25)11-16(19)24;1-14(2)12-29-21-20(22(31)28(3)23(29)32)26-17(7-5-4-6-10-30)18(27-21)13-33-19-11-15(25)8-9-16(19)24/h4,6-7,9-10,12-14,16,20,34H,5,8,11,15,17-19H2,1-3H3;2*7-8,10-12,14,17,32H,4-6,9,13,15-16H2,1-3H3;8-11,15,32H,4-7,12-14H2,1-3H3;2*8-9,11,14,30H,4-7,10,12-13H2,1-3H3.

What are the key properties of 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-bromo-5-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-8-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[(2-phenylphenoxy)methyl]pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[[4-(trifluoromethyl)phenoxy]methyl]pteridine-2,4-dione?

7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-bromo-5-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-8-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[(2-phenylphenoxy)methyl]pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[[4-(trifluoromethyl)phenoxy]methyl]pteridine-2,4-dione has a molecular weight of 3015.52 g/mol, XLogP of 20.68, 61 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2-bromo-4-chlorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;7-[(2-bromo-5-fluorophenoxy)methyl]-6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-8-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[(2-phenylphenoxy)methyl]pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-7-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-[[4-(trifluoromethyl)phenoxy]methyl]pteridine-2,4-dione is sourced from PubChem (CID 159869124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).