N-(2,5-dimethylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide

C24H24F3N3O3 — CID 51368869

IUPACN-(2,5-dimethylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2c(-c3ccc(C(F)(F)F)cc3)nc(C)c(CCO)c2=O)c1
InChIInChI=1S/C24H24F3N3O3/c1-14-4-5-15(2)20(12-14)29-21(32)13-30-22(28-16(3)19(10-11-31)23(30)33)17-6-8-18(9-7-17)24(25,26)27/h4-9,12,31H,10-11,13H2,1-3H3,(H,29,32)
InChIKeyDRNWWUSQHBDZJF-UHFFFAOYSA-N
MW459.47 g/mol
LogP4.03
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide

N-(2,5-dimethylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide (PubChem CID 51368869) has the molecular formula C24H24F3N3O3 and a molecular weight of 459.47 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide
PubChem CID51368869
Molecular FormulaC24H24F3N3O3
Molecular Weight459.47 g/mol
Exact Mass459.18
IUPAC NameN-(2,5-dimethylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2c(-c3ccc(C(F)(F)F)cc3)nc(C)c(CCO)c2=O)c1
InChIInChI=1S/C24H24F3N3O3/c1-14-4-5-15(2)20(12-14)29-21(32)13-30-22(28-16(3)19(10-11-31)23(30)33)17-6-8-18(9-7-17)24(25,26)27/h4-9,12,31H,10-11,13H2,1-3H3,(H,29,32)
InChIKeyDRNWWUSQHBDZJF-UHFFFAOYSA-N
XLogP4.03
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368763
N-(2,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 91912020
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide
CID 51368875
N-(3-cyanophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide
CID 51368892
N-(2-chloro-4-methylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
CID 51368511
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91911984
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 51368647
N-(2-fluoro-4-methylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51369145
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide
CID 51368884
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368751
N-(2,4-difluorophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
CID 51368513
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 51368704

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide (CID 51368869) is N-(2,5-dimethylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide is Cc1ccc(C)c(NC(=O)Cn2c(-c3ccc(C(F)(F)F)cc3)nc(C)c(CCO)c2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide?
The InChIKey is DRNWWUSQHBDZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O3/c1-14-4-5-15(2)20(12-14)29-21(32)13-30-22(28-16(3)19(10-11-31)23(30)33)17-6-8-18(9-7-17)24(25,26)27/h4-9,12,31H,10-11,13H2,1-3H3,(H,29,32).
What are the key properties of N-(2,5-dimethylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide has a molecular weight of 459.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 51368869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).