4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one

C13H13N3O3 — CID 114578883

IUPAC4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCC(=O)c1cc(N)ccc1Oc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C13H13N3O3/c1-7(17)10-5-9(14)3-4-11(10)19-13-6-12(18)15-8(2)16-13/h3-6H,14H2,1-2H3,(H,15,16,18)
InChIKeyUFNZBSJHOWCKNL-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.66
Rot. Bonds3

About 4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one

4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one (PubChem CID 114578883) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one
PubChem CID114578883
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCC(=O)c1cc(N)ccc1Oc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C13H13N3O3/c1-7(17)10-5-9(14)3-4-11(10)19-13-6-12(18)15-8(2)16-13/h3-6H,14H2,1-2H3,(H,15,16,18)
InChIKeyUFNZBSJHOWCKNL-UHFFFAOYSA-N
XLogP1.66
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585684
1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 116541482
4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one
CID 114585899
4-(5-amino-2-methylphenoxy)-2-ethyl-1H-pyrimidin-6-one
CID 114578659
1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone
CID 114222924
5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile
CID 116541439
1-[5-amino-2-(1,2,4-benzotriazin-3-yloxy)phenyl]ethanone
CID 103204594
1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone
CID 116541549
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609
1-(5-amino-2-phthalazin-1-yloxyphenyl)ethanone
CID 116541453
4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one
CID 114585940
4-(4-amino-2-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114578645

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one (CID 114578883) is 4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one is CC(=O)c1cc(N)ccc1Oc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UFNZBSJHOWCKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-7(17)10-5-9(14)3-4-11(10)19-13-6-12(18)15-8(2)16-13/h3-6H,14H2,1-2H3,(H,15,16,18).
What are the key properties of 4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one?
4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 259.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114578883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).