N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide

C23H24FN3O2 — CID 91887588

IUPACN-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
SMILESCCCc1cc(=O)n(CC(=O)Nc2c(C)cccc2C)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H24FN3O2/c1-4-6-19-13-21(29)27(23(25-19)17-9-11-18(24)12-10-17)14-20(28)26-22-15(2)7-5-8-16(22)3/h5,7-13H,4,6,14H2,1-3H3,(H,26,28)
InChIKeyWFHOHHYHDDOJJT-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.26
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide (PubChem CID 91887588) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
PubChem CID91887588
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC NameN-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
SMILESCCCc1cc(=O)n(CC(=O)Nc2c(C)cccc2C)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H24FN3O2/c1-4-6-19-13-21(29)27(23(25-19)17-9-11-18(24)12-10-17)14-20(28)26-22-15(2)7-5-8-16(22)3/h5,7-13H,4,6,14H2,1-3H3,(H,26,28)
InChIKeyWFHOHHYHDDOJJT-UHFFFAOYSA-N
XLogP4.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
CID 91887585
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368751
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10-yl]acetamide
CID 45031658
N-(2-ethyl-6-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370603
N-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 91887414
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279274
2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 53201796
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 91887534
2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 7588316
N-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
CID 91887464
2-[2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-5-(4-fluorophenyl)imidazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 1166621
N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
CID 91887493

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide (CID 91887588) is N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide is CCCc1cc(=O)n(CC(=O)Nc2c(C)cccc2C)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide?
The InChIKey is WFHOHHYHDDOJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-4-6-19-13-21(29)27(23(25-19)17-9-11-18(24)12-10-17)14-20(28)26-22-15(2)7-5-8-16(22)3/h5,7-13H,4,6,14H2,1-3H3,(H,26,28).
What are the key properties of N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide has a molecular weight of 393.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-6-oxo-4-propylpyrimidin-1-yl]acetamide is sourced from PubChem (CID 91887588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).