4-fluoro-6-[3-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxyphenoxy]phenoxy]-2-phenylpyrimidine

C32H20F2N4O3 — CID 102264705

IUPAC4-fluoro-6-[3-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxyphenoxy]phenoxy]-2-phenylpyrimidine
SMILESFc1cc(Oc2cccc(Oc3cccc(Oc4cc(F)nc(-c5ccccc5)n4)c3)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C32H20F2N4O3/c33-27-19-29(37-31(35-27)21-9-3-1-4-10-21)40-25-15-7-13-23(17-25)39-24-14-8-16-26(18-24)41-30-20-28(34)36-32(38-30)22-11-5-2-6-12-22/h1-20H
InChIKeyQDNUXXBEBFSZLG-UHFFFAOYSA-N
MW546.53 g/mol
LogP8.26
Rot. Bonds8

About 4-fluoro-6-[3-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxyphenoxy]phenoxy]-2-phenylpyrimidine

4-fluoro-6-[3-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxyphenoxy]phenoxy]-2-phenylpyrimidine (PubChem CID 102264705) has the molecular formula C32H20F2N4O3 and a molecular weight of 546.53 g/mol. Its IUPAC name is 4-fluoro-6-[3-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxyphenoxy]phenoxy]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-fluoro-6-[3-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxyphenoxy]phenoxy]-2-phenylpyrimidine
PubChem CID102264705
Molecular FormulaC32H20F2N4O3
Molecular Weight546.53 g/mol
Exact Mass546.15
IUPAC Name4-fluoro-6-[3-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxyphenoxy]phenoxy]-2-phenylpyrimidine
SMILESFc1cc(Oc2cccc(Oc3cccc(Oc4cc(F)nc(-c5ccccc5)n4)c3)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C32H20F2N4O3/c33-27-19-29(37-31(35-27)21-9-3-1-4-10-21)40-25-15-7-13-23(17-25)39-24-14-8-16-26(18-24)41-30-20-28(34)36-32(38-30)22-11-5-2-6-12-22/h1-20H
InChIKeyQDNUXXBEBFSZLG-UHFFFAOYSA-N
XLogP8.26
TPSA79.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.53
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(2,4-Difluorophenoxy)-2-phenylpyrimidin-4-yl]morpholine
CID 1484733
4-(3-Methoxyphenoxy)-6-methyl-2-phenylpyrimidine
CID 71460890
3-((6-Methyl-2-phenylpyrimidin-4-yl)oxy)phenol
CID 42582436
2-Phenyl-4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 5100103
4-(2,4-Difluorophenoxy)-6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 91633836
4-Methoxy-6-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 22100616
4-[4-Fluoro-3-(trifluoromethyl)phenoxy]-6-[3-[6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]oxyphenoxy]pyrimidine
CID 139804303
1,3-Difluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2,5-difluoro-1-(3-fluorophenoxy)-3-propan-2-ylbenzene;3,5-difluoro-2-(3-fluorophenoxy)-6-propan-2-ylpyridine;1-fluoro-2-(3-fluorophenoxy)-4-propan-2-ylbenzene;1-fluoro-4-(3-fluorophenoxy)-2-propan-2-ylbenzene;2-(3-fluorophenoxy)-6-propan-2-ylpyridine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethoxy)phenoxy]pyrimidine;4-methyl-2-propan-2-yl-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 159844182
2-[4-[4-[4,6-Bis(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)pyrimidin-2-yl]phenyl]phenyl]-4,6-bis(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-1,3,5-triazine
CID 176747178
2-[4-[4,6-Bis(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)pyrimidin-2-yl]phenyl]-4,6-bis(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)-1,3,5-triazine
CID 176747392
11-Methyl-5,17-bis(methylsulfanyl)-2,8,14,20,26-pentaoxa-4,6,16,18-tetrazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene
CID 102264709
5,17-Diphenyl-2,8,14,20,26-pentaoxa-4,6,16,18-tetrazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaene
CID 102264710

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[3-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxyphenoxy]phenoxy]-2-phenylpyrimidine?
The IUPAC name of 4-fluoro-6-[3-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxyphenoxy]phenoxy]-2-phenylpyrimidine (CID 102264705) is 4-fluoro-6-[3-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxyphenoxy]phenoxy]-2-phenylpyrimidine.
What is the SMILES notation for 4-fluoro-6-[3-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxyphenoxy]phenoxy]-2-phenylpyrimidine?
The canonical SMILES for 4-fluoro-6-[3-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxyphenoxy]phenoxy]-2-phenylpyrimidine is Fc1cc(Oc2cccc(Oc3cccc(Oc4cc(F)nc(-c5ccccc5)n4)c3)c2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-fluoro-6-[3-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxyphenoxy]phenoxy]-2-phenylpyrimidine?
The InChIKey is QDNUXXBEBFSZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20F2N4O3/c33-27-19-29(37-31(35-27)21-9-3-1-4-10-21)40-25-15-7-13-23(17-25)39-24-14-8-16-26(18-24)41-30-20-28(34)36-32(38-30)22-11-5-2-6-12-22/h1-20H.
What are the key properties of 4-fluoro-6-[3-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxyphenoxy]phenoxy]-2-phenylpyrimidine?
4-fluoro-6-[3-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxyphenoxy]phenoxy]-2-phenylpyrimidine has a molecular weight of 546.53 g/mol, XLogP of 8.26, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[3-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxyphenoxy]phenoxy]-2-phenylpyrimidine is sourced from PubChem (CID 102264705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).