ethyl 2-(1-ethyl-2-hydroxy-4,6-dimethylpyrimidin-2-yl)acetate

C12H20N2O3 — CID 121227490

IUPACethyl 2-(1-ethyl-2-hydroxy-4,6-dimethylpyrimidin-2-yl)acetate
SMILESCCOC(=O)CC1(O)N=C(C)C=C(C)N1CC
InChIInChI=1S/C12H20N2O3/c1-5-14-10(4)7-9(3)13-12(14,16)8-11(15)17-6-2/h7,16H,5-6,8H2,1-4H3
InChIKeyTUIMYEQPZSVIEX-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.29
Rot. Bonds4

About ethyl 2-(1-ethyl-2-hydroxy-4,6-dimethylpyrimidin-2-yl)acetate

ethyl 2-(1-ethyl-2-hydroxy-4,6-dimethylpyrimidin-2-yl)acetate (PubChem CID 121227490) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethyl 2-(1-ethyl-2-hydroxy-4,6-dimethylpyrimidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-ethyl-2-hydroxy-4,6-dimethylpyrimidin-2-yl)acetate
PubChem CID121227490
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nameethyl 2-(1-ethyl-2-hydroxy-4,6-dimethylpyrimidin-2-yl)acetate
SMILESCCOC(=O)CC1(O)N=C(C)C=C(C)N1CC
InChIInChI=1S/C12H20N2O3/c1-5-14-10(4)7-9(3)13-12(14,16)8-11(15)17-6-2/h7,16H,5-6,8H2,1-4H3
InChIKeyTUIMYEQPZSVIEX-UHFFFAOYSA-N
XLogP1.29
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-ethyl-2-hydroxy-4,6-dimethylpyrimidin-2-yl)acetate?
The IUPAC name of ethyl 2-(1-ethyl-2-hydroxy-4,6-dimethylpyrimidin-2-yl)acetate (CID 121227490) is ethyl 2-(1-ethyl-2-hydroxy-4,6-dimethylpyrimidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(1-ethyl-2-hydroxy-4,6-dimethylpyrimidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(1-ethyl-2-hydroxy-4,6-dimethylpyrimidin-2-yl)acetate is CCOC(=O)CC1(O)N=C(C)C=C(C)N1CC.
What is the InChIKey of ethyl 2-(1-ethyl-2-hydroxy-4,6-dimethylpyrimidin-2-yl)acetate?
The InChIKey is TUIMYEQPZSVIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-14-10(4)7-9(3)13-12(14,16)8-11(15)17-6-2/h7,16H,5-6,8H2,1-4H3.
What are the key properties of ethyl 2-(1-ethyl-2-hydroxy-4,6-dimethylpyrimidin-2-yl)acetate?
ethyl 2-(1-ethyl-2-hydroxy-4,6-dimethylpyrimidin-2-yl)acetate has a molecular weight of 240.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-ethyl-2-hydroxy-4,6-dimethylpyrimidin-2-yl)acetate is sourced from PubChem (CID 121227490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).