2-(4-pyrimidin-2-yloxyphenoxy)propanamide

C13H13N3O3 — CID 133330250

IUPAC2-(4-pyrimidin-2-yloxyphenoxy)propanamide
SMILESCC(Oc1ccc(Oc2ncccn2)cc1)C(N)=O
InChIInChI=1S/C13H13N3O3/c1-9(12(14)17)18-10-3-5-11(6-4-10)19-13-15-7-2-8-16-13/h2-9H,1H3,(H2,14,17)
InChIKeyUJXGYGRKLSYBIN-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.52
Rot. Bonds5

About 2-(4-pyrimidin-2-yloxyphenoxy)propanamide

2-(4-pyrimidin-2-yloxyphenoxy)propanamide (PubChem CID 133330250) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-yloxyphenoxy)propanamide.

Molecular Properties

Compound Name2-(4-pyrimidin-2-yloxyphenoxy)propanamide
PubChem CID133330250
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name2-(4-pyrimidin-2-yloxyphenoxy)propanamide
SMILESCC(Oc1ccc(Oc2ncccn2)cc1)C(N)=O
InChIInChI=1S/C13H13N3O3/c1-9(12(14)17)18-10-3-5-11(6-4-10)19-13-15-7-2-8-16-13/h2-9H,1H3,(H2,14,17)
InChIKeyUJXGYGRKLSYBIN-UHFFFAOYSA-N
XLogP1.52
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-hydroxyphenoxy)propanamide
CID 67641252
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997
2-[4-(1-hydroxyethyl)phenoxy]propanamide
CID 43503658
2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082830
2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11323843
2-[3-(pyridin-2-ylmethoxy)phenoxy]propanamide
CID 75509167
2-amino-1-(4-pyrimidin-2-yloxyphenyl)ethanone
CID 170860743
(2R)-2-[4-(4-acetyl-3,5-dimethylpyrazol-1-yl)phenoxy]propanamide
CID 95147907
2-(3-aminophenoxy)propanamide
CID 43115971
(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7908205
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]propanamide
CID 79796082

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-yloxyphenoxy)propanamide?
The IUPAC name of 2-(4-pyrimidin-2-yloxyphenoxy)propanamide (CID 133330250) is 2-(4-pyrimidin-2-yloxyphenoxy)propanamide.
What is the SMILES notation for 2-(4-pyrimidin-2-yloxyphenoxy)propanamide?
The canonical SMILES for 2-(4-pyrimidin-2-yloxyphenoxy)propanamide is CC(Oc1ccc(Oc2ncccn2)cc1)C(N)=O.
What is the InChIKey of 2-(4-pyrimidin-2-yloxyphenoxy)propanamide?
The InChIKey is UJXGYGRKLSYBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-9(12(14)17)18-10-3-5-11(6-4-10)19-13-15-7-2-8-16-13/h2-9H,1H3,(H2,14,17).
What are the key properties of 2-(4-pyrimidin-2-yloxyphenoxy)propanamide?
2-(4-pyrimidin-2-yloxyphenoxy)propanamide has a molecular weight of 259.26 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-yloxyphenoxy)propanamide is sourced from PubChem (CID 133330250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).