2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

C23H24FN3O3 — CID 51369066

IUPAC2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)cc1
InChIInChI=1S/C23H24FN3O3/c1-15-6-8-17(9-7-15)13-25-21(29)14-27-22(18-4-3-5-19(24)12-18)26-16(2)20(10-11-28)23(27)30/h3-9,12,28H,10-11,13-14H2,1-2H3,(H,25,29)
InChIKeyAWGIJTAMRIRTOL-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.52
Rot. Bonds7

About 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 51369066) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID51369066
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)cc1
InChIInChI=1S/C23H24FN3O3/c1-15-6-8-17(9-7-15)13-25-21(29)14-27-22(18-4-3-5-19(24)12-18)26-16(2)20(10-11-28)23(27)30/h3-9,12,28H,10-11,13-14H2,1-2H3,(H,25,29)
InChIKeyAWGIJTAMRIRTOL-UHFFFAOYSA-N
XLogP2.52
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51369046
2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 51369059
N-(2-fluoro-4-methylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51369145
N-benzyl-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368921
N-(4-butylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51369121
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(3,4-dimethylphenyl)methyl]acetamide
CID 51369032
N-(2-ethylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51369064
N-[(3-bromophenyl)methyl]-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
CID 51368578
N-(3-fluorophenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368778
2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 95185499
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 51368706
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 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 51369066) is 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)cc1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is AWGIJTAMRIRTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-15-6-8-17(9-7-15)13-25-21(29)14-27-22(18-4-3-5-19(24)12-18)26-16(2)20(10-11-28)23(27)30/h3-9,12,28H,10-11,13-14H2,1-2H3,(H,25,29).
What are the key properties of 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 409.46 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 51369066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).