2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-fluoro-5-methylphenyl)methyl]acetamide

C16H18FN3O2 — CID 137206084

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-fluoro-5-methylphenyl)methyl]acetamide
SMILESCc1cc(F)cc(CNC(=O)Cc2c(C)nc(C)[nH]c2=O)c1
InChIInChI=1S/C16H18FN3O2/c1-9-4-12(6-13(17)5-9)8-18-15(21)7-14-10(2)19-11(3)20-16(14)22/h4-6H,7-8H2,1-3H3,(H,18,21)(H,19,20,22)
InChIKeyIFMDTNOEWDJDHJ-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.69
Rot. Bonds4

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-fluoro-5-methylphenyl)methyl]acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-fluoro-5-methylphenyl)methyl]acetamide (PubChem CID 137206084) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-fluoro-5-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-fluoro-5-methylphenyl)methyl]acetamide
PubChem CID137206084
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-fluoro-5-methylphenyl)methyl]acetamide
SMILESCc1cc(F)cc(CNC(=O)Cc2c(C)nc(C)[nH]c2=O)c1
InChIInChI=1S/C16H18FN3O2/c1-9-4-12(6-13(17)5-9)8-18-15(21)7-14-10(2)19-11(3)20-16(14)22/h4-6H,7-8H2,1-3H3,(H,18,21)(H,19,20,22)
InChIKeyIFMDTNOEWDJDHJ-UHFFFAOYSA-N
XLogP1.69
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-fluoro-5-methylphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-fluoro-5-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-fluoro-5-methylphenyl)methyl]acetamide (CID 137206084) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-fluoro-5-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-fluoro-5-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-fluoro-5-methylphenyl)methyl]acetamide is Cc1cc(F)cc(CNC(=O)Cc2c(C)nc(C)[nH]c2=O)c1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-fluoro-5-methylphenyl)methyl]acetamide?
The InChIKey is IFMDTNOEWDJDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-9-4-12(6-13(17)5-9)8-18-15(21)7-14-10(2)19-11(3)20-16(14)22/h4-6H,7-8H2,1-3H3,(H,18,21)(H,19,20,22).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-fluoro-5-methylphenyl)methyl]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-fluoro-5-methylphenyl)methyl]acetamide has a molecular weight of 303.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-fluoro-5-methylphenyl)methyl]acetamide is sourced from PubChem (CID 137206084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).