6-(2,4,6-trimethylphenoxy)-1H-pyrimidin-2-one

C13H14N2O2 — CID 135121998

IUPAC6-(2,4,6-trimethylphenoxy)-1H-pyrimidin-2-one
SMILESCc1cc(C)c(Oc2ccnc(=O)[nH]2)c(C)c1
InChIInChI=1S/C13H14N2O2/c1-8-6-9(2)12(10(3)7-8)17-11-4-5-14-13(16)15-11/h4-7H,1-3H3,(H,14,15,16)
InChIKeyUKNLCBLLEQUHOK-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.49
Rot. Bonds2

About 6-(2,4,6-trimethylphenoxy)-1H-pyrimidin-2-one

6-(2,4,6-trimethylphenoxy)-1H-pyrimidin-2-one (PubChem CID 135121998) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-(2,4,6-trimethylphenoxy)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2,4,6-trimethylphenoxy)-1H-pyrimidin-2-one
PubChem CID135121998
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name6-(2,4,6-trimethylphenoxy)-1H-pyrimidin-2-one
SMILESCc1cc(C)c(Oc2ccnc(=O)[nH]2)c(C)c1
InChIInChI=1S/C13H14N2O2/c1-8-6-9(2)12(10(3)7-8)17-11-4-5-14-13(16)15-11/h4-7H,1-3H3,(H,14,15,16)
InChIKeyUKNLCBLLEQUHOK-UHFFFAOYSA-N
XLogP2.49
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4,6-trimethylphenoxy)-1H-pyrimidin-2-one?
The IUPAC name of 6-(2,4,6-trimethylphenoxy)-1H-pyrimidin-2-one (CID 135121998) is 6-(2,4,6-trimethylphenoxy)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2,4,6-trimethylphenoxy)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2,4,6-trimethylphenoxy)-1H-pyrimidin-2-one is Cc1cc(C)c(Oc2ccnc(=O)[nH]2)c(C)c1.
What is the InChIKey of 6-(2,4,6-trimethylphenoxy)-1H-pyrimidin-2-one?
The InChIKey is UKNLCBLLEQUHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-6-9(2)12(10(3)7-8)17-11-4-5-14-13(16)15-11/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 6-(2,4,6-trimethylphenoxy)-1H-pyrimidin-2-one?
6-(2,4,6-trimethylphenoxy)-1H-pyrimidin-2-one has a molecular weight of 230.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4,6-trimethylphenoxy)-1H-pyrimidin-2-one is sourced from PubChem (CID 135121998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).