5-(2,4-dimethylphenoxy)-1H-pyrimidin-2-one

C12H12N2O2 — CID 12661823

IUPAC5-(2,4-dimethylphenoxy)-1H-pyrimidin-2-one
SMILESCc1ccc(Oc2cnc(=O)[nH]c2)c(C)c1
InChIInChI=1S/C12H12N2O2/c1-8-3-4-11(9(2)5-8)16-10-6-13-12(15)14-7-10/h3-7H,1-2H3,(H,13,14,15)
InChIKeyZDETVIMTIWIVBJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.18
Rot. Bonds2

About 5-(2,4-dimethylphenoxy)-1H-pyrimidin-2-one

5-(2,4-dimethylphenoxy)-1H-pyrimidin-2-one (PubChem CID 12661823) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(2,4-dimethylphenoxy)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(2,4-dimethylphenoxy)-1H-pyrimidin-2-one
PubChem CID12661823
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-(2,4-dimethylphenoxy)-1H-pyrimidin-2-one
SMILESCc1ccc(Oc2cnc(=O)[nH]c2)c(C)c1
InChIInChI=1S/C12H12N2O2/c1-8-3-4-11(9(2)5-8)16-10-6-13-12(15)14-7-10/h3-7H,1-2H3,(H,13,14,15)
InChIKeyZDETVIMTIWIVBJ-UHFFFAOYSA-N
XLogP2.18
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenoxy)-1H-pyrimidin-2-one?
The IUPAC name of 5-(2,4-dimethylphenoxy)-1H-pyrimidin-2-one (CID 12661823) is 5-(2,4-dimethylphenoxy)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(2,4-dimethylphenoxy)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(2,4-dimethylphenoxy)-1H-pyrimidin-2-one is Cc1ccc(Oc2cnc(=O)[nH]c2)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenoxy)-1H-pyrimidin-2-one?
The InChIKey is ZDETVIMTIWIVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-3-4-11(9(2)5-8)16-10-6-13-12(15)14-7-10/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 5-(2,4-dimethylphenoxy)-1H-pyrimidin-2-one?
5-(2,4-dimethylphenoxy)-1H-pyrimidin-2-one has a molecular weight of 216.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenoxy)-1H-pyrimidin-2-one is sourced from PubChem (CID 12661823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).