2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide

C14H15N3O2 — CID 891327

IUPAC2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide
SMILESCc1ccc(OCC(=O)Nc2ncccn2)c(C)c1
InChIInChI=1S/C14H15N3O2/c1-10-4-5-12(11(2)8-10)19-9-13(18)17-14-15-6-3-7-16-14/h3-8H,9H2,1-2H3,(H,15,16,17,18)
InChIKeyWQYNLIVHPVCCNH-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.11
Rot. Bonds4

About 2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide

2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide (PubChem CID 891327) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide
PubChem CID891327
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide
SMILESCc1ccc(OCC(=O)Nc2ncccn2)c(C)c1
InChIInChI=1S/C14H15N3O2/c1-10-4-5-12(11(2)8-10)19-9-13(18)17-14-15-6-3-7-16-14/h3-8H,9H2,1-2H3,(H,15,16,17,18)
InChIKeyWQYNLIVHPVCCNH-UHFFFAOYSA-N
XLogP2.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide
CID 70962503
2-(2,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 837547
2-(2,4-dimethylphenoxy)-N-(2-methyltetrazol-5-yl)acetamide
CID 654531
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide
CID 23932880
2-(2,4-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 24982533
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
CID 45426301
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
N-(6-chloro-4-methyl-3-pyridinyl)-2-(2,4-dimethylphenoxy)acetamide
CID 99638494
N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 16781912
N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 965412

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide (CID 891327) is 2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide is Cc1ccc(OCC(=O)Nc2ncccn2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide?
The InChIKey is WQYNLIVHPVCCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-4-5-12(11(2)8-10)19-9-13(18)17-14-15-6-3-7-16-14/h3-8H,9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide?
2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide has a molecular weight of 257.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 891327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).