2-(2,5-dimethylphenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C14H15N3O4 — CID 976824

IUPAC2-(2,5-dimethylphenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C14H15N3O4/c1-8-3-4-9(2)11(5-8)21-7-12(18)16-10-6-15-14(20)17-13(10)19/h3-6H,7H2,1-2H3,(H,16,18)(H2,15,17,19,20)
InChIKeyLYPKBYMSBBRATM-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.70
Rot. Bonds4

About 2-(2,5-dimethylphenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide

2-(2,5-dimethylphenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 976824) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
PubChem CID976824
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-(2,5-dimethylphenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1ccc(C)c(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C14H15N3O4/c1-8-3-4-9(2)11(5-8)21-7-12(18)16-10-6-15-14(20)17-13(10)19/h3-6H,7H2,1-2H3,(H,16,18)(H2,15,17,19,20)
InChIKeyLYPKBYMSBBRATM-UHFFFAOYSA-N
XLogP0.70
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide (CID 976824) is 2-(2,5-dimethylphenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is Cc1ccc(C)c(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is LYPKBYMSBBRATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-8-3-4-9(2)11(5-8)21-7-12(18)16-10-6-15-14(20)17-13(10)19/h3-6H,7H2,1-2H3,(H,16,18)(H2,15,17,19,20).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide?
2-(2,5-dimethylphenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 289.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 976824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).