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

C11H18N2O3 — CID 11543140

IUPACethyl 2-(2-hydroxy-1,4,6-trimethylpyrimidin-2-yl)acetate
SMILESCCOC(=O)CC1(O)N=C(C)C=C(C)N1C
InChIInChI=1S/C11H18N2O3/c1-5-16-10(14)7-11(15)12-8(2)6-9(3)13(11)4/h6,15H,5,7H2,1-4H3
InChIKeyDXAUTNINADDTBY-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.90
Rot. Bonds3

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

ethyl 2-(2-hydroxy-1,4,6-trimethylpyrimidin-2-yl)acetate (PubChem CID 11543140) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is ethyl 2-(2-hydroxy-1,4,6-trimethylpyrimidin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxy-1,4,6-trimethylpyrimidin-2-yl)acetate
PubChem CID11543140
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nameethyl 2-(2-hydroxy-1,4,6-trimethylpyrimidin-2-yl)acetate
SMILESCCOC(=O)CC1(O)N=C(C)C=C(C)N1C
InChIInChI=1S/C11H18N2O3/c1-5-16-10(14)7-11(15)12-8(2)6-9(3)13(11)4/h6,15H,5,7H2,1-4H3
InChIKeyDXAUTNINADDTBY-UHFFFAOYSA-N
XLogP0.90
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 121227490
CID 121227490
CID 43365424
CID 43365424
CID 45118146
CID 45118146

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxy-1,4,6-trimethylpyrimidin-2-yl)acetate?
The IUPAC name of ethyl 2-(2-hydroxy-1,4,6-trimethylpyrimidin-2-yl)acetate (CID 11543140) is ethyl 2-(2-hydroxy-1,4,6-trimethylpyrimidin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(2-hydroxy-1,4,6-trimethylpyrimidin-2-yl)acetate?
The canonical SMILES for ethyl 2-(2-hydroxy-1,4,6-trimethylpyrimidin-2-yl)acetate is CCOC(=O)CC1(O)N=C(C)C=C(C)N1C.
What is the InChIKey of ethyl 2-(2-hydroxy-1,4,6-trimethylpyrimidin-2-yl)acetate?
The InChIKey is DXAUTNINADDTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-16-10(14)7-11(15)12-8(2)6-9(3)13(11)4/h6,15H,5,7H2,1-4H3.
What are the key properties of ethyl 2-(2-hydroxy-1,4,6-trimethylpyrimidin-2-yl)acetate?
ethyl 2-(2-hydroxy-1,4,6-trimethylpyrimidin-2-yl)acetate has a molecular weight of 226.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxy-1,4,6-trimethylpyrimidin-2-yl)acetate is sourced from PubChem (CID 11543140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).