2,6-difluoro-3-[2-(4-morpholin-4-ylphenyl)pyrimidin-4-yl]oxyphenol

C20H17F2N3O3 — CID 166628205

IUPAC2,6-difluoro-3-[2-(4-morpholin-4-ylphenyl)pyrimidin-4-yl]oxyphenol
SMILESOc1c(F)ccc(Oc2ccnc(-c3ccc(N4CCOCC4)cc3)n2)c1F
InChIInChI=1S/C20H17F2N3O3/c21-15-5-6-16(18(22)19(15)26)28-17-7-8-23-20(24-17)13-1-3-14(4-2-13)25-9-11-27-12-10-25/h1-8,26H,9-12H2
InChIKeyRTMYFYODSPZKSC-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.76
Rot. Bonds4

About 2,6-difluoro-3-[2-(4-morpholin-4-ylphenyl)pyrimidin-4-yl]oxyphenol

2,6-difluoro-3-[2-(4-morpholin-4-ylphenyl)pyrimidin-4-yl]oxyphenol (PubChem CID 166628205) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is 2,6-difluoro-3-[2-(4-morpholin-4-ylphenyl)pyrimidin-4-yl]oxyphenol.

Molecular Properties

Compound Name2,6-difluoro-3-[2-(4-morpholin-4-ylphenyl)pyrimidin-4-yl]oxyphenol
PubChem CID166628205
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name2,6-difluoro-3-[2-(4-morpholin-4-ylphenyl)pyrimidin-4-yl]oxyphenol
SMILESOc1c(F)ccc(Oc2ccnc(-c3ccc(N4CCOCC4)cc3)n2)c1F
InChIInChI=1S/C20H17F2N3O3/c21-15-5-6-16(18(22)19(15)26)28-17-7-8-23-20(24-17)13-1-3-14(4-2-13)25-9-11-27-12-10-25/h1-8,26H,9-12H2
InChIKeyRTMYFYODSPZKSC-UHFFFAOYSA-N
XLogP3.76
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[2-(4-morpholin-4-ylphenyl)pyrimidin-4-yl]oxyphenol?
The IUPAC name of 2,6-difluoro-3-[2-(4-morpholin-4-ylphenyl)pyrimidin-4-yl]oxyphenol (CID 166628205) is 2,6-difluoro-3-[2-(4-morpholin-4-ylphenyl)pyrimidin-4-yl]oxyphenol.
What is the SMILES notation for 2,6-difluoro-3-[2-(4-morpholin-4-ylphenyl)pyrimidin-4-yl]oxyphenol?
The canonical SMILES for 2,6-difluoro-3-[2-(4-morpholin-4-ylphenyl)pyrimidin-4-yl]oxyphenol is Oc1c(F)ccc(Oc2ccnc(-c3ccc(N4CCOCC4)cc3)n2)c1F.
What is the InChIKey of 2,6-difluoro-3-[2-(4-morpholin-4-ylphenyl)pyrimidin-4-yl]oxyphenol?
The InChIKey is RTMYFYODSPZKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c21-15-5-6-16(18(22)19(15)26)28-17-7-8-23-20(24-17)13-1-3-14(4-2-13)25-9-11-27-12-10-25/h1-8,26H,9-12H2.
What are the key properties of 2,6-difluoro-3-[2-(4-morpholin-4-ylphenyl)pyrimidin-4-yl]oxyphenol?
2,6-difluoro-3-[2-(4-morpholin-4-ylphenyl)pyrimidin-4-yl]oxyphenol has a molecular weight of 385.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[2-(4-morpholin-4-ylphenyl)pyrimidin-4-yl]oxyphenol is sourced from PubChem (CID 166628205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).