N-[5-(4-chlorophenoxy)-4-methyl-6-oxo-1H-pyrimidin-2-yl]acetamide

C13H12ClN3O3 — CID 135436082

IUPACN-[5-(4-chlorophenoxy)-4-methyl-6-oxo-1H-pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(Oc2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C13H12ClN3O3/c1-7-11(20-10-5-3-9(14)4-6-10)12(19)17-13(15-7)16-8(2)18/h3-6H,1-2H3,(H2,15,16,17,18,19)
InChIKeyDTKVDQMCEDFRGA-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.48
Rot. Bonds3

About N-[5-(4-chlorophenoxy)-4-methyl-6-oxo-1H-pyrimidin-2-yl]acetamide

N-[5-(4-chlorophenoxy)-4-methyl-6-oxo-1H-pyrimidin-2-yl]acetamide (PubChem CID 135436082) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is N-[5-(4-chlorophenoxy)-4-methyl-6-oxo-1H-pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenoxy)-4-methyl-6-oxo-1H-pyrimidin-2-yl]acetamide
PubChem CID135436082
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC NameN-[5-(4-chlorophenoxy)-4-methyl-6-oxo-1H-pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(Oc2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C13H12ClN3O3/c1-7-11(20-10-5-3-9(14)4-6-10)12(19)17-13(15-7)16-8(2)18/h3-6H,1-2H3,(H2,15,16,17,18,19)
InChIKeyDTKVDQMCEDFRGA-UHFFFAOYSA-N
XLogP2.48
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenoxy)-4-methyl-6-oxo-1H-pyrimidin-2-yl]acetamide?
The IUPAC name of N-[5-(4-chlorophenoxy)-4-methyl-6-oxo-1H-pyrimidin-2-yl]acetamide (CID 135436082) is N-[5-(4-chlorophenoxy)-4-methyl-6-oxo-1H-pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[5-(4-chlorophenoxy)-4-methyl-6-oxo-1H-pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[5-(4-chlorophenoxy)-4-methyl-6-oxo-1H-pyrimidin-2-yl]acetamide is CC(=O)Nc1nc(C)c(Oc2ccc(Cl)cc2)c(=O)[nH]1.
What is the InChIKey of N-[5-(4-chlorophenoxy)-4-methyl-6-oxo-1H-pyrimidin-2-yl]acetamide?
The InChIKey is DTKVDQMCEDFRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-7-11(20-10-5-3-9(14)4-6-10)12(19)17-13(15-7)16-8(2)18/h3-6H,1-2H3,(H2,15,16,17,18,19).
What are the key properties of N-[5-(4-chlorophenoxy)-4-methyl-6-oxo-1H-pyrimidin-2-yl]acetamide?
N-[5-(4-chlorophenoxy)-4-methyl-6-oxo-1H-pyrimidin-2-yl]acetamide has a molecular weight of 293.71 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenoxy)-4-methyl-6-oxo-1H-pyrimidin-2-yl]acetamide is sourced from PubChem (CID 135436082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).