N-(3-cyanophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide

C23H19F3N4O3 — CID 51368892

IUPACN-(3-cyanophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)n(CC(=O)Nc2cccc(C#N)c2)c(=O)c1CCO
InChIInChI=1S/C23H19F3N4O3/c1-14-19(9-10-31)22(33)30(13-20(32)29-18-4-2-3-15(11-18)12-27)21(28-14)16-5-7-17(8-6-16)23(24,25)26/h2-8,11,31H,9-10,13H2,1H3,(H,29,32)
InChIKeyDZIZMVKNPJLRLL-UHFFFAOYSA-N
MW456.42 g/mol
LogP3.28
Rot. Bonds6

About N-(3-cyanophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide

N-(3-cyanophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide (PubChem CID 51368892) has the molecular formula C23H19F3N4O3 and a molecular weight of 456.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide
PubChem CID51368892
Molecular FormulaC23H19F3N4O3
Molecular Weight456.42 g/mol
Exact Mass456.14
IUPAC NameN-(3-cyanophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)n(CC(=O)Nc2cccc(C#N)c2)c(=O)c1CCO
InChIInChI=1S/C23H19F3N4O3/c1-14-19(9-10-31)22(33)30(13-20(32)29-18-4-2-3-15(11-18)12-27)21(28-14)16-5-7-17(8-6-16)23(24,25)26/h2-8,11,31H,9-10,13H2,1H3,(H,29,32)
InChIKeyDZIZMVKNPJLRLL-UHFFFAOYSA-N
XLogP3.28
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368778
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]-N-propan-2-ylacetamide
CID 51368875
N-(2,5-dimethylphenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide
CID 51368869
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91911984
3-[[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]methyl]benzonitrile
CID 91912025
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368751
2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 51368740
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 51368620
N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 63768495
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 51368647
N-(4-butylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51369121
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51369133

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide (CID 51368892) is N-(3-cyanophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide is Cc1nc(-c2ccc(C(F)(F)F)cc2)n(CC(=O)Nc2cccc(C#N)c2)c(=O)c1CCO.
What is the InChIKey of N-(3-cyanophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide?
The InChIKey is DZIZMVKNPJLRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3/c1-14-19(9-10-31)22(33)30(13-20(32)29-18-4-2-3-15(11-18)12-27)21(28-14)16-5-7-17(8-6-16)23(24,25)26/h2-8,11,31H,9-10,13H2,1H3,(H,29,32).
What are the key properties of N-(3-cyanophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide?
N-(3-cyanophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide has a molecular weight of 456.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 51368892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).