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

C24H26FN3O3 — CID 51368739

IUPAC2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccc(C(C)C)cc2)c(=O)c1CCO
InChIInChI=1S/C24H26FN3O3/c1-15(2)17-6-10-20(11-7-17)27-22(30)14-28-23(18-4-8-19(25)9-5-18)26-16(3)21(12-13-29)24(28)31/h4-11,15,29H,12-14H2,1-3H3,(H,27,30)
InChIKeyWFPDOCNULLJYEF-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.65
Rot. Bonds7

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

2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 51368739) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID51368739
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccc(C(C)C)cc2)c(=O)c1CCO
InChIInChI=1S/C24H26FN3O3/c1-15(2)17-6-10-20(11-7-17)27-22(30)14-28-23(18-4-8-19(25)9-5-18)26-16(3)21(12-13-29)24(28)31/h4-11,15,29H,12-14H2,1-3H3,(H,27,30)
InChIKeyWFPDOCNULLJYEF-UHFFFAOYSA-N
XLogP3.65
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 51368739) is 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is Cc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccc(C(C)C)cc2)c(=O)c1CCO.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is WFPDOCNULLJYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-15(2)17-6-10-20(11-7-17)27-22(30)14-28-23(18-4-8-19(25)9-5-18)26-16(3)21(12-13-29)24(28)31/h4-11,15,29H,12-14H2,1-3H3,(H,27,30).
What are the key properties of 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 423.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 51368739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).