2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide

C12H12N4O2 — CID 24701689

IUPAC2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide
SMILESNc1ccccc1OCC(=O)Nc1ncccn1
InChIInChI=1S/C12H12N4O2/c13-9-4-1-2-5-10(9)18-8-11(17)16-12-14-6-3-7-15-12/h1-7H,8,13H2,(H,14,15,16,17)
InChIKeyPCNLRPJLNOUSHE-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.08
Rot. Bonds4

About 2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide

2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide (PubChem CID 24701689) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide
PubChem CID24701689
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide
SMILESNc1ccccc1OCC(=O)Nc1ncccn1
InChIInChI=1S/C12H12N4O2/c13-9-4-1-2-5-10(9)18-8-11(17)16-12-14-6-3-7-15-12/h1-7H,8,13H2,(H,14,15,16,17)
InChIKeyPCNLRPJLNOUSHE-UHFFFAOYSA-N
XLogP1.08
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.08
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

2-(2-aminophenoxy)-N-(2-methyl-3-pyridinyl)acetamide
CID 79042181
2-(2-aminophenoxy)-N-pyrazin-2-ylacetamide
CID 43616028
2-(2-aminophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 16772949
3-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]pyridine-2-carboxylic acid
CID 61380261
2-(2-aminophenoxy)-N-(4-fluorophenyl)acetamide
CID 16789642
2-(2-aminophenoxy)-N-(2-methyl-4-pyridinyl)acetamide
CID 79234996
2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
pyrimidin-2-ylmethyl 2-(2-aminophenoxy)acetate
CID 62698645
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)acetamide
CID 65037879
2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide
CID 891327
2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide
CID 65467316
2-(2-aminophenoxy)-N-(2-ethylsulfanylphenyl)acetamide
CID 61104498

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide (CID 24701689) is 2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide is Nc1ccccc1OCC(=O)Nc1ncccn1.
What is the InChIKey of 2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide?
The InChIKey is PCNLRPJLNOUSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-9-4-1-2-5-10(9)18-8-11(17)16-12-14-6-3-7-15-12/h1-7H,8,13H2,(H,14,15,16,17).
What are the key properties of 2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide?
2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide has a molecular weight of 244.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 24701689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).