5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-amine

C32H30F3N7O6S — CID 10190260

About 5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-amine

5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-amine (PubChem CID 10190260) has the molecular formula C32H30F3N7O6S and a molecular weight of 697.70 g/mol. Its IUPAC name is 5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-amine
• PubChem CID: 10190260
• Molecular Formula: C32H30F3N7O6S
• Molecular Weight: 697.70 g/mol
• Exact Mass: 697.19
• IUPAC Name: 5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-amine
• SMILES: COc1ccccc1Oc1c(NS(=O)(=O)Nc2ccc(C(C)C)cc2)nc(-c2ccncc2)nc1OCCOc1ncc(C(F)(F)F)cn1
• InChI: InChI=1S/C32H30F3N7O6S/c1-20(2)21-8-10-24(11-9-21)41-49(43,44)42-29-27(48-26-7-5-4-6-25(26)45-3)30(40-28(39-29)22-12-14-36-15-13-22)46-16-17-47-31-37-18-23(19-38-31)32(33,34)35/h4-15,18-20,41H,16-17H2,1-3H3,(H,39,40,42)
• InChIKey: CEHGOGVRIOOVKI-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 159.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	697.70
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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 5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-amine?

The IUPAC name of 5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-amine (CID 10190260) is 5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-amine.

What is the SMILES notation for 5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-amine?

The canonical SMILES for 5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-amine is COc1ccccc1Oc1c(NS(=O)(=O)Nc2ccc(C(C)C)cc2)nc(-c2ccncc2)nc1OCCOc1ncc(C(F)(F)F)cn1.

What is the InChIKey of 5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-amine?

The InChIKey is CEHGOGVRIOOVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F3N7O6S/c1-20(2)21-8-10-24(11-9-21)41-49(43,44)42-29-27(48-26-7-5-4-6-25(26)45-3)30(40-28(39-29)22-12-14-36-15-13-22)46-16-17-47-31-37-18-23(19-38-31)32(33,34)35/h4-15,18-20,41H,16-17H2,1-3H3,(H,39,40,42).

What are the key properties of 5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-amine?

5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-amine has a molecular weight of 697.70 g/mol, XLogP of 6.50, 14 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-methoxyphenoxy)-N-[(4-propan-2-ylphenyl)sulfamoyl]-2-pyridin-4-yl-6-[2-[5-(trifluoromethyl)pyrimidin-2-yl]oxyethoxy]pyrimidin-4-amine is sourced from PubChem (CID 10190260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).