4-[6-(2,4-difluorophenoxy)-2-phenylpyrimidin-4-yl]morpholine

C20H17F2N3O2 — CID 1484733

IUPAC4-[6-(2,4-difluorophenoxy)-2-phenylpyrimidin-4-yl]morpholine
SMILESFc1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C20H17F2N3O2/c21-15-6-7-17(16(22)12-15)27-19-13-18(25-8-10-26-11-9-25)23-20(24-19)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2
InChIKeyFVHUPDPVABAYGF-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.05
Rot. Bonds4

About 4-[6-(2,4-difluorophenoxy)-2-phenylpyrimidin-4-yl]morpholine

4-[6-(2,4-difluorophenoxy)-2-phenylpyrimidin-4-yl]morpholine (PubChem CID 1484733) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 4-[6-(2,4-difluorophenoxy)-2-phenylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(2,4-difluorophenoxy)-2-phenylpyrimidin-4-yl]morpholine
PubChem CID1484733
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name4-[6-(2,4-difluorophenoxy)-2-phenylpyrimidin-4-yl]morpholine
SMILESFc1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C20H17F2N3O2/c21-15-6-7-17(16(22)12-15)27-19-13-18(25-8-10-26-11-9-25)23-20(24-19)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2
InChIKeyFVHUPDPVABAYGF-UHFFFAOYSA-N
XLogP4.05
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,4-difluorophenoxy)-2-phenylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(2,4-difluorophenoxy)-2-phenylpyrimidin-4-yl]morpholine (CID 1484733) is 4-[6-(2,4-difluorophenoxy)-2-phenylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(2,4-difluorophenoxy)-2-phenylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(2,4-difluorophenoxy)-2-phenylpyrimidin-4-yl]morpholine is Fc1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)c(F)c1.
What is the InChIKey of 4-[6-(2,4-difluorophenoxy)-2-phenylpyrimidin-4-yl]morpholine?
The InChIKey is FVHUPDPVABAYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c21-15-6-7-17(16(22)12-15)27-19-13-18(25-8-10-26-11-9-25)23-20(24-19)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2.
What are the key properties of 4-[6-(2,4-difluorophenoxy)-2-phenylpyrimidin-4-yl]morpholine?
4-[6-(2,4-difluorophenoxy)-2-phenylpyrimidin-4-yl]morpholine has a molecular weight of 369.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,4-difluorophenoxy)-2-phenylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 1484733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).