2-(2-methylphenoxy)-N-pyrimidin-2-ylacetamide

C13H13N3O2 — CID 848704

IUPAC2-(2-methylphenoxy)-N-pyrimidin-2-ylacetamide
SMILESCc1ccccc1OCC(=O)Nc1ncccn1
InChIInChI=1S/C13H13N3O2/c1-10-5-2-3-6-11(10)18-9-12(17)16-13-14-7-4-8-15-13/h2-8H,9H2,1H3,(H,14,15,16,17)
InChIKeyRVLJKTAZWJQYCR-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.80
Rot. Bonds4

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

2-(2-methylphenoxy)-N-pyrimidin-2-ylacetamide (PubChem CID 848704) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-pyrimidin-2-ylacetamide
PubChem CID848704
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-(2-methylphenoxy)-N-pyrimidin-2-ylacetamide
SMILESCc1ccccc1OCC(=O)Nc1ncccn1
InChIInChI=1S/C13H13N3O2/c1-10-5-2-3-6-11(10)18-9-12(17)16-13-14-7-4-8-15-13/h2-8H,9H2,1H3,(H,14,15,16,17)
InChIKeyRVLJKTAZWJQYCR-UHFFFAOYSA-N
XLogP1.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-pyrimidin-2-ylacetamide (CID 848704) is 2-(2-methylphenoxy)-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-pyrimidin-2-ylacetamide is Cc1ccccc1OCC(=O)Nc1ncccn1.
What is the InChIKey of 2-(2-methylphenoxy)-N-pyrimidin-2-ylacetamide?
The InChIKey is RVLJKTAZWJQYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-10-5-2-3-6-11(10)18-9-12(17)16-13-14-7-4-8-15-13/h2-8H,9H2,1H3,(H,14,15,16,17).
What are the key properties of 2-(2-methylphenoxy)-N-pyrimidin-2-ylacetamide?
2-(2-methylphenoxy)-N-pyrimidin-2-ylacetamide has a molecular weight of 243.27 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 848704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).