2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide

C16H18FN3O3 — CID 136920433

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
SMILESCc1nc(C)c(CC(=O)NCC(O)c2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C16H18FN3O3/c1-9-12(16(23)20-10(2)19-9)7-15(22)18-8-14(21)11-5-3-4-6-13(11)17/h3-6,14,21H,7-8H2,1-2H3,(H,18,22)(H,19,20,23)
InChIKeyHWHJDJPXRKXZHK-UHFFFAOYSA-N
MW319.34 g/mol
LogP0.92
Rot. Bonds5

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide (PubChem CID 136920433) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
PubChem CID136920433
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
SMILESCc1nc(C)c(CC(=O)NCC(O)c2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C16H18FN3O3/c1-9-12(16(23)20-10(2)19-9)7-15(22)18-8-14(21)11-5-3-4-6-13(11)17/h3-6,14,21H,7-8H2,1-2H3,(H,18,22)(H,19,20,23)
InChIKeyHWHJDJPXRKXZHK-UHFFFAOYSA-N
XLogP0.92
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

PIRENPERONE_met004
CID 44223053
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea
CID 72046973
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 72051327
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 72134627
3-[2-(3-Fluorophenyl)-2-hydroxyethyl]-5,6-dimethylpyrimidin-4-one
CID 75501774
N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 86779355
3-[2-[4-[(4-Fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 44223054
3-[2-[4-[(4-Fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-9-hydroxy-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 44223056
3-[2-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 69809754
3-[2-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 69809759
3-[2-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 69811774
3-[2-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 69811778

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide (CID 136920433) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide is Cc1nc(C)c(CC(=O)NCC(O)c2ccccc2F)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide?
The InChIKey is HWHJDJPXRKXZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-9-12(16(23)20-10(2)19-9)7-15(22)18-8-14(21)11-5-3-4-6-13(11)17/h3-6,14,21H,7-8H2,1-2H3,(H,18,22)(H,19,20,23).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide has a molecular weight of 319.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 136920433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).