2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide

C15H16FN3O2 — CID 53014413

IUPAC2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc(C)c(C)c2=O)c(F)c1
InChIInChI=1S/C15H16FN3O2/c1-9-4-5-13(12(16)6-9)18-14(20)7-19-8-17-11(3)10(2)15(19)21/h4-6,8H,7H2,1-3H3,(H,18,20)
InChIKeyXKHCQSGUYNDBDK-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.95
Rot. Bonds3

About 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide (PubChem CID 53014413) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
PubChem CID53014413
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cnc(C)c(C)c2=O)c(F)c1
InChIInChI=1S/C15H16FN3O2/c1-9-4-5-13(12(16)6-9)18-14(20)7-19-8-17-11(3)10(2)15(19)21/h4-6,8H,7H2,1-3H3,(H,18,20)
InChIKeyXKHCQSGUYNDBDK-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 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide (CID 53014413) is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cnc(C)c(C)c2=O)c(F)c1.
What is the InChIKey of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The InChIKey is XKHCQSGUYNDBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-9-4-5-13(12(16)6-9)18-14(20)7-19-8-17-11(3)10(2)15(19)21/h4-6,8H,7H2,1-3H3,(H,18,20).
What are the key properties of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluoro-4-methylphenyl)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 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 53014413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).