5-(2,4-dimethylphenoxy)-1H-pyrimidine-2,4-dione

C12H12N2O3 — CID 44611397

IUPAC5-(2,4-dimethylphenoxy)-1H-pyrimidine-2,4-dione
SMILESCc1ccc(Oc2c[nH]c(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C12H12N2O3/c1-7-3-4-9(8(2)5-7)17-10-6-13-12(16)14-11(10)15/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKeyUSDFROMRMFYQHS-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.47
Rot. Bonds2

About 5-(2,4-dimethylphenoxy)-1H-pyrimidine-2,4-dione

5-(2,4-dimethylphenoxy)-1H-pyrimidine-2,4-dione (PubChem CID 44611397) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-(2,4-dimethylphenoxy)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,4-dimethylphenoxy)-1H-pyrimidine-2,4-dione
PubChem CID44611397
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-(2,4-dimethylphenoxy)-1H-pyrimidine-2,4-dione
SMILESCc1ccc(Oc2c[nH]c(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C12H12N2O3/c1-7-3-4-9(8(2)5-7)17-10-6-13-12(16)14-11(10)15/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKeyUSDFROMRMFYQHS-UHFFFAOYSA-N
XLogP1.47
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenoxy)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2,4-dimethylphenoxy)-1H-pyrimidine-2,4-dione (CID 44611397) is 5-(2,4-dimethylphenoxy)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,4-dimethylphenoxy)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2,4-dimethylphenoxy)-1H-pyrimidine-2,4-dione is Cc1ccc(Oc2c[nH]c(=O)[nH]c2=O)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenoxy)-1H-pyrimidine-2,4-dione?
The InChIKey is USDFROMRMFYQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-3-4-9(8(2)5-7)17-10-6-13-12(16)14-11(10)15/h3-6H,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-(2,4-dimethylphenoxy)-1H-pyrimidine-2,4-dione?
5-(2,4-dimethylphenoxy)-1H-pyrimidine-2,4-dione has a molecular weight of 232.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenoxy)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 44611397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).