2-[5-(2-methoxyphenoxy)-6-[(4-propan-2-ylphenyl)sulfamoylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxyethanol;5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine

C60H60F3N11O12S2 — CID 161257505

About 2-[5-(2-methoxyphenoxy)-6-[(4-propan-2-ylphenyl)sulfamoylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxyethanol;5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine

2-[5-(2-methoxyphenoxy)-6-[(4-propan-2-ylphenyl)sulfamoylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxyethanol;5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine (PubChem CID 161257505) has the molecular formula C60H60F3N11O12S2 and a molecular weight of 1248.33 g/mol. Its IUPAC name is 2-[5-(2-methoxyphenoxy)-6-[(4-propan-2-ylphenyl)sulfamoylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxyethanol;5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[5-(2-methoxyphenoxy)-6-[(4-propan-2-ylphenyl)sulfamoylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxyethanol;5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine
• PubChem CID: 161257505
• Molecular Formula: C60H60F3N11O12S2
• Molecular Weight: 1248.33 g/mol
• Exact Mass: 1247.38
• IUPAC Name: 2-[5-(2-methoxyphenoxy)-6-[(4-propan-2-ylphenyl)sulfamoylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxyethanol;5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine
• SMILES: COc1ccccc1Oc1c(NS(=O)(=O)Nc2ccc(C(C)C)cc2)nc(-c2ccncc2)nc1OCCO.COc1ccccc1Oc1c(NS(=O)(=O)Nc2ccc(C(C)C)cc2)nc(-c2ccncc2)nc1OCCOc1ccc(C(F)(F)F)cn1
• InChI: InChI=1S/C33H31F3N6O6S.C27H29N5O6S/c1-21(2)22-8-11-25(12-9-22)41-49(43,44)42-31-29(48-27-7-5-4-6-26(27)45-3)32(40-30(39-31)23-14-16-37-17-15-23)47-19-18-46-28-13-10-24(20-38-28)33(34,35)36;1-18(2)19-8-10-21(11-9-19)31-39(34,35)32-26-24(38-23-7-5-4-6-22(23)36-3)27(37-17-16-33)30-25(29-26)20-12-14-28-15-13-20/h4-17,20-21,41H,18-19H2,1-3H3,(H,39,40,42);4-15,18,31,33H,16-17H2,1-3H3,(H,29,30,32)
• InChIKey: VCCSKXQMIXOKPV-UHFFFAOYSA-N
• XLogP: 11.71
• TPSA: 291.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 26
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1248.33
LogP ≤ 5	11.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxyphenoxy)-6-[(4-propan-2-ylphenyl)sulfamoylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxyethanol;5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine?

The IUPAC name of 2-[5-(2-methoxyphenoxy)-6-[(4-propan-2-ylphenyl)sulfamoylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxyethanol;5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine (CID 161257505) is 2-[5-(2-methoxyphenoxy)-6-[(4-propan-2-ylphenyl)sulfamoylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxyethanol;5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine.

What is the SMILES notation for 2-[5-(2-methoxyphenoxy)-6-[(4-propan-2-ylphenyl)sulfamoylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxyethanol;5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine?

The canonical SMILES for 2-[5-(2-methoxyphenoxy)-6-[(4-propan-2-ylphenyl)sulfamoylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxyethanol;5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine is COc1ccccc1Oc1c(NS(=O)(=O)Nc2ccc(C(C)C)cc2)nc(-c2ccncc2)nc1OCCO.COc1ccccc1Oc1c(NS(=O)(=O)Nc2ccc(C(C)C)cc2)nc(-c2ccncc2)nc1OCCOc1ccc(C(F)(F)F)cn1.

What is the InChIKey of 2-[5-(2-methoxyphenoxy)-6-[(4-propan-2-ylphenyl)sulfamoylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxyethanol;5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine?

The InChIKey is VCCSKXQMIXOKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F3N6O6S.C27H29N5O6S/c1-21(2)22-8-11-25(12-9-22)41-49(43,44)42-31-29(48-27-7-5-4-6-26(27)45-3)32(40-30(39-31)23-14-16-37-17-15-23)47-19-18-46-28-13-10-24(20-38-28)33(34,35)36;1-18(2)19-8-10-21(11-9-19)31-39(34,35)32-26-24(38-23-7-5-4-6-22(23)36-3)27(37-17-16-33)30-25(29-26)20-12-14-28-15-13-20/h4-17,20-21,41H,18-19H2,1-3H3,(H,39,40,42);4-15,18,31,33H,16-17H2,1-3H3,(H,29,30,32).

What are the key properties of 2-[5-(2-methoxyphenoxy)-6-[(4-propan-2-ylphenyl)sulfamoylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxyethanol;5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine?

2-[5-(2-methoxyphenoxy)-6-[(4-propan-2-ylphenyl)sulfamoylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxyethanol;5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine has a molecular weight of 1248.33 g/mol, XLogP of 11.71, 26 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(2-methoxyphenoxy)-6-[(4-propan-2-ylphenyl)sulfamoylamino]-2-pyridin-4-ylpyrimidin-4-yl]oxyethanol;5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine is sourced from PubChem (CID 161257505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).