N-(4-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide

C15H16FN3O2 — CID 53014426

IUPACN-(4-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1nc(C)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1C
InChIInChI=1S/C15H16FN3O2/c1-9-10(2)17-11(3)19(15(9)21)8-14(20)18-13-6-4-12(16)5-7-13/h4-7H,8H2,1-3H3,(H,18,20)
InChIKeyIHLUXOYNGZTFJQ-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.95
Rot. Bonds3

About N-(4-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide

N-(4-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 53014426) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID53014426
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC NameN-(4-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1nc(C)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1C
InChIInChI=1S/C15H16FN3O2/c1-9-10(2)17-11(3)19(15(9)21)8-14(20)18-13-6-4-12(16)5-7-13/h4-7H,8H2,1-3H3,(H,18,20)
InChIKeyIHLUXOYNGZTFJQ-UHFFFAOYSA-N
XLogP1.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide (CID 53014426) is N-(4-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide is Cc1nc(C)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1C.
What is the InChIKey of N-(4-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is IHLUXOYNGZTFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-9-10(2)17-11(3)19(15(9)21)8-14(20)18-13-6-4-12(16)5-7-13/h4-7H,8H2,1-3H3,(H,18,20).
What are the key properties of N-(4-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide?
N-(4-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 289.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 53014426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).