4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine

C20H17F4N5O — CID 56575886

IUPAC4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
SMILESFc1ccc(Oc2ccnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1
InChIInChI=1S/C20H17F4N5O/c21-15-2-4-16(5-3-15)30-18-7-8-25-19(27-18)29-11-9-28(10-12-29)17-6-1-14(13-26-17)20(22,23)24/h1-8,13H,9-12H2
InChIKeyHVPYOHSCXSLYDD-UHFFFAOYSA-N
MW419.38 g/mol
LogP4.15
Rot. Bonds4

About 4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine

4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine (PubChem CID 56575886) has the molecular formula C20H17F4N5O and a molecular weight of 419.38 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
PubChem CID56575886
Molecular FormulaC20H17F4N5O
Molecular Weight419.38 g/mol
Exact Mass419.14
IUPAC Name4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
SMILESFc1ccc(Oc2ccnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1
InChIInChI=1S/C20H17F4N5O/c21-15-2-4-16(5-3-15)30-18-7-8-25-19(27-18)29-11-9-28(10-12-29)17-6-1-14(13-26-17)20(22,23)24/h1-8,13H,9-12H2
InChIKeyHVPYOHSCXSLYDD-UHFFFAOYSA-N
XLogP4.15
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine (CID 56575886) is 4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine is Fc1ccc(Oc2ccnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine?
The InChIKey is HVPYOHSCXSLYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N5O/c21-15-2-4-16(5-3-15)30-18-7-8-25-19(27-18)29-11-9-28(10-12-29)17-6-1-14(13-26-17)20(22,23)24/h1-8,13H,9-12H2.
What are the key properties of 4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine?
4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine has a molecular weight of 419.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 56575886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).