5-fluoro-2-phenylmethoxy-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pyrimidine

C25H19F4N3O3 — CID 67960095

IUPAC5-fluoro-2-phenylmethoxy-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pyrimidine
SMILESFc1cnc(OCc2ccccc2)nc1OCCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C25H19F4N3O3/c26-21-15-31-24(34-16-18-4-2-1-3-5-18)32-23(21)33-13-12-17-6-9-20(10-7-17)35-22-11-8-19(14-30-22)25(27,28)29/h1-11,14-15H,12-13,16H2
InChIKeyIWKBXEZTCXEPCT-UHFFFAOYSA-N
MW485.44 g/mol
LogP6.02
Rot. Bonds9

About 5-fluoro-2-phenylmethoxy-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pyrimidine

5-fluoro-2-phenylmethoxy-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pyrimidine (PubChem CID 67960095) has the molecular formula C25H19F4N3O3 and a molecular weight of 485.44 g/mol. Its IUPAC name is 5-fluoro-2-phenylmethoxy-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-phenylmethoxy-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pyrimidine
PubChem CID67960095
Molecular FormulaC25H19F4N3O3
Molecular Weight485.44 g/mol
Exact Mass485.14
IUPAC Name5-fluoro-2-phenylmethoxy-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pyrimidine
SMILESFc1cnc(OCc2ccccc2)nc1OCCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C25H19F4N3O3/c26-21-15-31-24(34-16-18-4-2-1-3-5-18)32-23(21)33-13-12-17-6-9-20(10-7-17)35-22-11-8-19(14-30-22)25(27,28)29/h1-11,14-15H,12-13,16H2
InChIKeyIWKBXEZTCXEPCT-UHFFFAOYSA-N
XLogP6.02
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.44
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-phenylmethoxy-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pyrimidine?
The IUPAC name of 5-fluoro-2-phenylmethoxy-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pyrimidine (CID 67960095) is 5-fluoro-2-phenylmethoxy-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pyrimidine.
What is the SMILES notation for 5-fluoro-2-phenylmethoxy-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pyrimidine?
The canonical SMILES for 5-fluoro-2-phenylmethoxy-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pyrimidine is Fc1cnc(OCc2ccccc2)nc1OCCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 5-fluoro-2-phenylmethoxy-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pyrimidine?
The InChIKey is IWKBXEZTCXEPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N3O3/c26-21-15-31-24(34-16-18-4-2-1-3-5-18)32-23(21)33-13-12-17-6-9-20(10-7-17)35-22-11-8-19(14-30-22)25(27,28)29/h1-11,14-15H,12-13,16H2.
What are the key properties of 5-fluoro-2-phenylmethoxy-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pyrimidine?
5-fluoro-2-phenylmethoxy-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pyrimidine has a molecular weight of 485.44 g/mol, XLogP of 6.02, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-phenylmethoxy-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethoxy]pyrimidine is sourced from PubChem (CID 67960095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).