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

C21H20FN3O3 — CID 51368758

IUPAC2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide
SMILESCc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccccc2)c(=O)c1CCO
InChIInChI=1S/C21H20FN3O3/c1-14-18(11-12-26)21(28)25(13-19(27)24-17-5-3-2-4-6-17)20(23-14)15-7-9-16(22)10-8-15/h2-10,26H,11-13H2,1H3,(H,24,27)
InChIKeyHSVFRRIARALERL-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.53
Rot. Bonds6

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

2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide (PubChem CID 51368758) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide
PubChem CID51368758
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide
SMILESCc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccccc2)c(=O)c1CCO
InChIInChI=1S/C21H20FN3O3/c1-14-18(11-12-26)21(28)25(13-19(27)24-17-5-3-2-4-6-17)20(23-14)15-7-9-16(22)10-8-15/h2-10,26H,11-13H2,1H3,(H,24,27)
InChIKeyHSVFRRIARALERL-UHFFFAOYSA-N
XLogP2.53
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.53
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-phenylacetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide (CID 51368758) is 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide is Cc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccccc2)c(=O)c1CCO.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide?
The InChIKey is HSVFRRIARALERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-14-18(11-12-26)21(28)25(13-19(27)24-17-5-3-2-4-6-17)20(23-14)15-7-9-16(22)10-8-15/h2-10,26H,11-13H2,1H3,(H,24,27).
What are the key properties of 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide?
2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide has a molecular weight of 381.41 g/mol, XLogP of 2.53, 6 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-phenylacetamide is sourced from PubChem (CID 51368758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).