3-(2,6-difluoro-4-hydroxyphenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one

C18H12F4N2O3 — CID 21090037

IUPAC3-(2,6-difluoro-4-hydroxyphenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
SMILESCc1nc(OCc2ccc(F)cc2F)cc(=O)n1-c1c(F)cc(O)cc1F
InChIInChI=1S/C18H12F4N2O3/c1-9-23-16(27-8-10-2-3-11(19)4-13(10)20)7-17(26)24(9)18-14(21)5-12(25)6-15(18)22/h2-7,25H,8H2,1H3
InChIKeyAGNWFZZURGRNLK-UHFFFAOYSA-N
MW380.30 g/mol
LogP3.38
Rot. Bonds4

About 3-(2,6-difluoro-4-hydroxyphenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one

3-(2,6-difluoro-4-hydroxyphenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one (PubChem CID 21090037) has the molecular formula C18H12F4N2O3 and a molecular weight of 380.30 g/mol. Its IUPAC name is 3-(2,6-difluoro-4-hydroxyphenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2,6-difluoro-4-hydroxyphenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
PubChem CID21090037
Molecular FormulaC18H12F4N2O3
Molecular Weight380.30 g/mol
Exact Mass380.08
IUPAC Name3-(2,6-difluoro-4-hydroxyphenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
SMILESCc1nc(OCc2ccc(F)cc2F)cc(=O)n1-c1c(F)cc(O)cc1F
InChIInChI=1S/C18H12F4N2O3/c1-9-23-16(27-8-10-2-3-11(19)4-13(10)20)7-17(26)24(9)18-14(21)5-12(25)6-15(18)22/h2-7,25H,8H2,1H3
InChIKeyAGNWFZZURGRNLK-UHFFFAOYSA-N
XLogP3.38
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 22049990
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CID 21089575
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CID 21089642
CID 21089642
CID 21089707
CID 21089707
CID 21089729
CID 21089729
CID 21089738
CID 21089738
CID 21089757
CID 21089757
CID 21089853
CID 21089853
CID 21089963
CID 21089963
CID 21090012
CID 21090012
CID 21090029
CID 21090029
CID 21090032
CID 21090032

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-4-hydroxyphenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one?
The IUPAC name of 3-(2,6-difluoro-4-hydroxyphenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one (CID 21090037) is 3-(2,6-difluoro-4-hydroxyphenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one.
What is the SMILES notation for 3-(2,6-difluoro-4-hydroxyphenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one?
The canonical SMILES for 3-(2,6-difluoro-4-hydroxyphenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one is Cc1nc(OCc2ccc(F)cc2F)cc(=O)n1-c1c(F)cc(O)cc1F.
What is the InChIKey of 3-(2,6-difluoro-4-hydroxyphenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one?
The InChIKey is AGNWFZZURGRNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O3/c1-9-23-16(27-8-10-2-3-11(19)4-13(10)20)7-17(26)24(9)18-14(21)5-12(25)6-15(18)22/h2-7,25H,8H2,1H3.
What are the key properties of 3-(2,6-difluoro-4-hydroxyphenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one?
3-(2,6-difluoro-4-hydroxyphenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one has a molecular weight of 380.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-4-hydroxyphenyl)-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one is sourced from PubChem (CID 21090037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).