5-(5-fluoro-2-methoxyphenyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine

C22H23FN2O3 — CID 10271246

IUPAC5-(5-fluoro-2-methoxyphenyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine
SMILESCOc1ccc(F)cc1-c1c(C)nc(-c2c(C)cc(C)cc2OC)nc1OC
InChIInChI=1S/C22H23FN2O3/c1-12-9-13(2)19(18(10-12)27-5)21-24-14(3)20(22(25-21)28-6)16-11-15(23)7-8-17(16)26-4/h7-11H,1-6H3
InChIKeyJSXKXOSIJYZLNF-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.90
Rot. Bonds5

About 5-(5-fluoro-2-methoxyphenyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine

5-(5-fluoro-2-methoxyphenyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine (PubChem CID 10271246) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxyphenyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxyphenyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine
PubChem CID10271246
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name5-(5-fluoro-2-methoxyphenyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine
SMILESCOc1ccc(F)cc1-c1c(C)nc(-c2c(C)cc(C)cc2OC)nc1OC
InChIInChI=1S/C22H23FN2O3/c1-12-9-13(2)19(18(10-12)27-5)21-24-14(3)20(22(25-21)28-6)16-11-15(23)7-8-17(16)26-4/h7-11H,1-6H3
InChIKeyJSXKXOSIJYZLNF-UHFFFAOYSA-N
XLogP4.90
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681044
2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene
CID 91665782
2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline
CID 107602919
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine
CID 106681385
2-chloro-6-(5-fluoro-2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 94285487
1-[5-(dipropylamino)-6-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyrimidin-4-yl]propan-1-ol
CID 142653306
[4-(5-fluoro-2-methoxyphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82480164
3-(5-fluoro-2-methoxyphenyl)-5,6-dimethyl-1H-pyrazine-2-thione
CID 106518375
3-(5-fluoro-2-methoxyphenyl)-7-methylimidazo[1,5-a]pyridine
CID 166372256
4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine
CID 82390103
4-(5-fluoro-2-methoxyphenyl)-3-methylaniline
CID 54912636

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine?
The IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine (CID 10271246) is 5-(5-fluoro-2-methoxyphenyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine.
What is the SMILES notation for 5-(5-fluoro-2-methoxyphenyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine?
The canonical SMILES for 5-(5-fluoro-2-methoxyphenyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine is COc1ccc(F)cc1-c1c(C)nc(-c2c(C)cc(C)cc2OC)nc1OC.
What is the InChIKey of 5-(5-fluoro-2-methoxyphenyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine?
The InChIKey is JSXKXOSIJYZLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-12-9-13(2)19(18(10-12)27-5)21-24-14(3)20(22(25-21)28-6)16-11-15(23)7-8-17(16)26-4/h7-11H,1-6H3.
What are the key properties of 5-(5-fluoro-2-methoxyphenyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine?
5-(5-fluoro-2-methoxyphenyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine has a molecular weight of 382.44 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxyphenyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine is sourced from PubChem (CID 10271246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).