5-(2-hydroxyethyl)-2-methoxy-3,6-dimethylpyrimidin-4-one

C9H14N2O3 — CID 69314207

IUPAC5-(2-hydroxyethyl)-2-methoxy-3,6-dimethylpyrimidin-4-one
SMILESCOc1nc(C)c(CCO)c(=O)n1C
InChIInChI=1S/C9H14N2O3/c1-6-7(4-5-12)8(13)11(2)9(10-6)14-3/h12H,4-5H2,1-3H3
InChIKeyZEAKKGXLDHMGEM-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.37
Rot. Bonds3

About 5-(2-hydroxyethyl)-2-methoxy-3,6-dimethylpyrimidin-4-one

5-(2-hydroxyethyl)-2-methoxy-3,6-dimethylpyrimidin-4-one (PubChem CID 69314207) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2-methoxy-3,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2-methoxy-3,6-dimethylpyrimidin-4-one
PubChem CID69314207
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name5-(2-hydroxyethyl)-2-methoxy-3,6-dimethylpyrimidin-4-one
SMILESCOc1nc(C)c(CCO)c(=O)n1C
InChIInChI=1S/C9H14N2O3/c1-6-7(4-5-12)8(13)11(2)9(10-6)14-3/h12H,4-5H2,1-3H3
InChIKeyZEAKKGXLDHMGEM-UHFFFAOYSA-N
XLogP-0.37
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2-methoxy-3,6-dimethylpyrimidin-4-one?
The IUPAC name of 5-(2-hydroxyethyl)-2-methoxy-3,6-dimethylpyrimidin-4-one (CID 69314207) is 5-(2-hydroxyethyl)-2-methoxy-3,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-2-methoxy-3,6-dimethylpyrimidin-4-one?
The canonical SMILES for 5-(2-hydroxyethyl)-2-methoxy-3,6-dimethylpyrimidin-4-one is COc1nc(C)c(CCO)c(=O)n1C.
What is the InChIKey of 5-(2-hydroxyethyl)-2-methoxy-3,6-dimethylpyrimidin-4-one?
The InChIKey is ZEAKKGXLDHMGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6-7(4-5-12)8(13)11(2)9(10-6)14-3/h12H,4-5H2,1-3H3.
What are the key properties of 5-(2-hydroxyethyl)-2-methoxy-3,6-dimethylpyrimidin-4-one?
5-(2-hydroxyethyl)-2-methoxy-3,6-dimethylpyrimidin-4-one has a molecular weight of 198.22 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2-methoxy-3,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 69314207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).