4-fluoro-6-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxy-5-methylphenoxy]-2-phenylpyrimidine

C27H18F2N4O2 — CID 102264707

IUPAC4-fluoro-6-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxy-5-methylphenoxy]-2-phenylpyrimidine
SMILESCc1cc(Oc2cc(F)nc(-c3ccccc3)n2)cc(Oc2cc(F)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C27H18F2N4O2/c1-17-12-20(34-24-15-22(28)30-26(32-24)18-8-4-2-5-9-18)14-21(13-17)35-25-16-23(29)31-27(33-25)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyYALYMSNPUIMYCB-UHFFFAOYSA-N
MW468.46 g/mol
LogP6.77
Rot. Bonds6

About 4-fluoro-6-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxy-5-methylphenoxy]-2-phenylpyrimidine

4-fluoro-6-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxy-5-methylphenoxy]-2-phenylpyrimidine (PubChem CID 102264707) has the molecular formula C27H18F2N4O2 and a molecular weight of 468.46 g/mol. Its IUPAC name is 4-fluoro-6-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxy-5-methylphenoxy]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-fluoro-6-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxy-5-methylphenoxy]-2-phenylpyrimidine
PubChem CID102264707
Molecular FormulaC27H18F2N4O2
Molecular Weight468.46 g/mol
Exact Mass468.14
IUPAC Name4-fluoro-6-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxy-5-methylphenoxy]-2-phenylpyrimidine
SMILESCc1cc(Oc2cc(F)nc(-c3ccccc3)n2)cc(Oc2cc(F)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C27H18F2N4O2/c1-17-12-20(34-24-15-22(28)30-26(32-24)18-8-4-2-5-9-18)14-21(13-17)35-25-16-23(29)31-27(33-25)19-10-6-3-7-11-19/h2-16H,1H3
InChIKeyYALYMSNPUIMYCB-UHFFFAOYSA-N
XLogP6.77
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.46
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-Fluoro-3-[4-(4-fluoro-3-hydroxyphenoxy)pyrimidin-2-yl]phenol
CID 163582211
2-Fluoro-3-[4-(4-fluoro-3-methoxyphenoxy)pyrimidin-2-yl]phenol
CID 163853888
2-Phenyl-4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 5100103
2-(2-Fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine
CID 56702987
2-(4-Fluorophenyl)-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 15452286
2-(2,4-Difluorophenyl)-4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 15452293
2-Phenylmethoxy-4-prop-2-enoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 19693875
4-Methoxy-2-phenylmethoxy-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 19693891
2-Amino-4,6-bis(4-fluoro-3-trifluoromethylphenoxy)pyrimidine
CID 19709693

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxy-5-methylphenoxy]-2-phenylpyrimidine?
The IUPAC name of 4-fluoro-6-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxy-5-methylphenoxy]-2-phenylpyrimidine (CID 102264707) is 4-fluoro-6-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxy-5-methylphenoxy]-2-phenylpyrimidine.
What is the SMILES notation for 4-fluoro-6-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxy-5-methylphenoxy]-2-phenylpyrimidine?
The canonical SMILES for 4-fluoro-6-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxy-5-methylphenoxy]-2-phenylpyrimidine is Cc1cc(Oc2cc(F)nc(-c3ccccc3)n2)cc(Oc2cc(F)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-fluoro-6-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxy-5-methylphenoxy]-2-phenylpyrimidine?
The InChIKey is YALYMSNPUIMYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F2N4O2/c1-17-12-20(34-24-15-22(28)30-26(32-24)18-8-4-2-5-9-18)14-21(13-17)35-25-16-23(29)31-27(33-25)19-10-6-3-7-11-19/h2-16H,1H3.
What are the key properties of 4-fluoro-6-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxy-5-methylphenoxy]-2-phenylpyrimidine?
4-fluoro-6-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxy-5-methylphenoxy]-2-phenylpyrimidine has a molecular weight of 468.46 g/mol, XLogP of 6.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[3-(6-fluoro-2-phenylpyrimidin-4-yl)oxy-5-methylphenoxy]-2-phenylpyrimidine is sourced from PubChem (CID 102264707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).