4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-(4-fluorophenyl)-5,6-dimethylpyrimidine

C20H18F2N2O2 — CID 95922989

IUPAC4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-(4-fluorophenyl)-5,6-dimethylpyrimidine
SMILESCOc1ccc(COc2nc(-c3ccc(F)cc3)nc(C)c2C)cc1F
InChIInChI=1S/C20H18F2N2O2/c1-12-13(2)23-19(15-5-7-16(21)8-6-15)24-20(12)26-11-14-4-9-18(25-3)17(22)10-14/h4-10H,11H2,1-3H3
InChIKeyBHNNGSYLLZWARX-UHFFFAOYSA-N
MW356.37 g/mol
LogP4.63
Rot. Bonds5

About 4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-(4-fluorophenyl)-5,6-dimethylpyrimidine

4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-(4-fluorophenyl)-5,6-dimethylpyrimidine (PubChem CID 95922989) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-(4-fluorophenyl)-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-(4-fluorophenyl)-5,6-dimethylpyrimidine
PubChem CID95922989
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-(4-fluorophenyl)-5,6-dimethylpyrimidine
SMILESCOc1ccc(COc2nc(-c3ccc(F)cc3)nc(C)c2C)cc1F
InChIInChI=1S/C20H18F2N2O2/c1-12-13(2)23-19(15-5-7-16(21)8-6-15)24-20(12)26-11-14-4-9-18(25-3)17(22)10-14/h4-10H,11H2,1-3H3
InChIKeyBHNNGSYLLZWARX-UHFFFAOYSA-N
XLogP4.63
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-4,5-dimethyl-6-[(4-methylphenyl)methoxy]pyrimidine
CID 95922976
2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine
CID 65101012
4-[(3,4-difluorophenyl)methoxy]-6-ethyl-2-(4-fluorophenyl)pyrimidine
CID 95922959
2-(bromomethyl)-3-[(3-fluoro-4-methoxyphenyl)methoxy]-6-methylpyridine
CID 79168710
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
2-bromo-3-[(3-fluoro-4-methoxyphenyl)methoxy]pyridine
CID 62047655
2-fluoro-1-methoxy-4-[(3-methylphenoxy)methyl]benzene
CID 60627922
5-(4-fluorophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 83287470
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 66303209

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-(4-fluorophenyl)-5,6-dimethylpyrimidine?
The IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-(4-fluorophenyl)-5,6-dimethylpyrimidine (CID 95922989) is 4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-(4-fluorophenyl)-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-(4-fluorophenyl)-5,6-dimethylpyrimidine?
The canonical SMILES for 4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-(4-fluorophenyl)-5,6-dimethylpyrimidine is COc1ccc(COc2nc(-c3ccc(F)cc3)nc(C)c2C)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-(4-fluorophenyl)-5,6-dimethylpyrimidine?
The InChIKey is BHNNGSYLLZWARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c1-12-13(2)23-19(15-5-7-16(21)8-6-15)24-20(12)26-11-14-4-9-18(25-3)17(22)10-14/h4-10H,11H2,1-3H3.
What are the key properties of 4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-(4-fluorophenyl)-5,6-dimethylpyrimidine?
4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-(4-fluorophenyl)-5,6-dimethylpyrimidine has a molecular weight of 356.37 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-(4-fluorophenyl)-5,6-dimethylpyrimidine is sourced from PubChem (CID 95922989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).