N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)acetamide

C13H13N3O3 — CID 135450643

IUPACN-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc(C)c(Oc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H13N3O3/c1-8-11(19-10-6-4-3-5-7-10)12(18)16-13(14-8)15-9(2)17/h3-7H,1-2H3,(H2,14,15,16,17,18)
InChIKeyVFXNJSLVXKMUML-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.83
Rot. Bonds3

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

N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)acetamide (PubChem CID 135450643) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)acetamide
PubChem CID135450643
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc(C)c(Oc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H13N3O3/c1-8-11(19-10-6-4-3-5-7-10)12(18)16-13(14-8)15-9(2)17/h3-7H,1-2H3,(H2,14,15,16,17,18)
InChIKeyVFXNJSLVXKMUML-UHFFFAOYSA-N
XLogP1.83
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)acetamide?
The IUPAC name of N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)acetamide (CID 135450643) is N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)acetamide is CC(=O)Nc1nc(C)c(Oc2ccccc2)c(=O)[nH]1.
What is the InChIKey of N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)acetamide?
The InChIKey is VFXNJSLVXKMUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8-11(19-10-6-4-3-5-7-10)12(18)16-13(14-8)15-9(2)17/h3-7H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)acetamide?
N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)acetamide has a molecular weight of 259.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6-oxo-5-phenoxy-1H-pyrimidin-2-yl)acetamide is sourced from PubChem (CID 135450643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).