N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide

C22H22FN3O5 — CID 122303234

IUPACN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2c(C)nc(Oc3ccccc3F)nc2C)cc(OC)c1OC
InChIInChI=1S/C22H22FN3O5/c1-12-19(13(2)25-22(24-12)31-16-9-7-6-8-15(16)23)26-21(27)14-10-17(28-3)20(30-5)18(11-14)29-4/h6-11H,1-5H3,(H,26,27)
InChIKeyOZHBCEHOEQYBNF-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.30
Rot. Bonds7

About N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide (PubChem CID 122303234) has the molecular formula C22H22FN3O5 and a molecular weight of 427.43 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide
PubChem CID122303234
Molecular FormulaC22H22FN3O5
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC NameN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2c(C)nc(Oc3ccccc3F)nc2C)cc(OC)c1OC
InChIInChI=1S/C22H22FN3O5/c1-12-19(13(2)25-22(24-12)31-16-9-7-6-8-15(16)23)26-21(27)14-10-17(28-3)20(30-5)18(11-14)29-4/h6-11H,1-5H3,(H,26,27)
InChIKeyOZHBCEHOEQYBNF-UHFFFAOYSA-N
XLogP4.30
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide
CID 122303589
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-methylbenzamide
CID 122303223
4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide
CID 91969101
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,5-dinitrobenzamide
CID 122303565
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 91969103
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122303389
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide
CID 122303244
(E)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 122303446
2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide
CID 122303430
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122303405
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide
CID 91968353
1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea
CID 122303288

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide (CID 122303234) is N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2c(C)nc(Oc3ccccc3F)nc2C)cc(OC)c1OC.
What is the InChIKey of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is OZHBCEHOEQYBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O5/c1-12-19(13(2)25-22(24-12)31-16-9-7-6-8-15(16)23)26-21(27)14-10-17(28-3)20(30-5)18(11-14)29-4/h6-11H,1-5H3,(H,26,27).
What are the key properties of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide?
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 427.43 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 122303234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).