4-[2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]morpholine

C26H21F3N4O2 — CID 4086238

IUPAC4-[2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)Oc1ccc(-c2cncc(-c3cc(N4CCOCC4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C26H21F3N4O2/c27-26(28,29)35-22-8-6-18(7-9-22)20-14-21(17-30-16-20)23-15-24(33-10-12-34-13-11-33)32-25(31-23)19-4-2-1-3-5-19/h1-9,14-17H,10-13H2
InChIKeyARYOHXRSQPQUSP-UHFFFAOYSA-N
MW478.47 g/mol
LogP5.61
Rot. Bonds5

About 4-[2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]morpholine

4-[2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]morpholine (PubChem CID 4086238) has the molecular formula C26H21F3N4O2 and a molecular weight of 478.47 g/mol. Its IUPAC name is 4-[2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]morpholine
PubChem CID4086238
Molecular FormulaC26H21F3N4O2
Molecular Weight478.47 g/mol
Exact Mass478.16
IUPAC Name4-[2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)Oc1ccc(-c2cncc(-c3cc(N4CCOCC4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C26H21F3N4O2/c27-26(28,29)35-22-8-6-18(7-9-22)20-14-21(17-30-16-20)23-15-24(33-10-12-34-13-11-33)32-25(31-23)19-4-2-1-3-5-19/h1-9,14-17H,10-13H2
InChIKeyARYOHXRSQPQUSP-UHFFFAOYSA-N
XLogP5.61
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.47
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]morpholine (CID 4086238) is 4-[2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]morpholine is FC(F)(F)Oc1ccc(-c2cncc(-c3cc(N4CCOCC4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 4-[2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]morpholine?
The InChIKey is ARYOHXRSQPQUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4O2/c27-26(28,29)35-22-8-6-18(7-9-22)20-14-21(17-30-16-20)23-15-24(33-10-12-34-13-11-33)32-25(31-23)19-4-2-1-3-5-19/h1-9,14-17H,10-13H2.
What are the key properties of 4-[2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]morpholine?
4-[2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]morpholine has a molecular weight of 478.47 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 4086238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).