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

C25H28FN3O3 — CID 51369121

IUPACN-(4-butylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCCCCc1ccc(NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)cc1
InChIInChI=1S/C25H28FN3O3/c1-3-4-6-18-9-11-21(12-10-18)28-23(31)16-29-24(19-7-5-8-20(26)15-19)27-17(2)22(13-14-30)25(29)32/h5,7-12,15,30H,3-4,6,13-14,16H2,1-2H3,(H,28,31)
InChIKeyQJLFEIHNQQSNLM-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.87
Rot. Bonds9

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

N-(4-butylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 51369121) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
PubChem CID51369121
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC NameN-(4-butylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCCCCc1ccc(NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)cc1
InChIInChI=1S/C25H28FN3O3/c1-3-4-6-18-9-11-21(12-10-18)28-23(31)16-29-24(19-7-5-8-20(26)15-19)27-17(2)22(13-14-30)25(29)32/h5,7-12,15,30H,3-4,6,13-14,16H2,1-2H3,(H,28,31)
InChIKeyQJLFEIHNQQSNLM-UHFFFAOYSA-N
XLogP3.87
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51369064
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-[(4-methylphenyl)methyl]acetamide
CID 51369066
N-(2-fluoro-4-methylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51369145
2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91911984
2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 51369059
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51369133
2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 51368740
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368751
N-[(2-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51369046
N-(2,4-difluorophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]acetamide
CID 51368513
2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 95185499

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(4-butylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide (CID 51369121) is N-(4-butylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide is CCCCc1ccc(NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is QJLFEIHNQQSNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-3-4-6-18-9-11-21(12-10-18)28-23(31)16-29-24(19-7-5-8-20(26)15-19)27-17(2)22(13-14-30)25(29)32/h5,7-12,15,30H,3-4,6,13-14,16H2,1-2H3,(H,28,31).
What are the key properties of N-(4-butylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
N-(4-butylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 437.52 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 51369121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).