2-[5-(2-hydroxyethyl)-6-methyl-2-propan-2-ylpyrimidin-4-yl]oxyacetic acid

C12H18N2O4 — CID 94077091

IUPAC2-[5-(2-hydroxyethyl)-6-methyl-2-propan-2-ylpyrimidin-4-yl]oxyacetic acid
SMILESCc1nc(C(C)C)nc(OCC(=O)O)c1CCO
InChIInChI=1S/C12H18N2O4/c1-7(2)11-13-8(3)9(4-5-15)12(14-11)18-6-10(16)17/h7,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyVOOPASDHIDTIET-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.91
Rot. Bonds6

About 2-[5-(2-hydroxyethyl)-6-methyl-2-propan-2-ylpyrimidin-4-yl]oxyacetic acid

2-[5-(2-hydroxyethyl)-6-methyl-2-propan-2-ylpyrimidin-4-yl]oxyacetic acid (PubChem CID 94077091) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethyl)-6-methyl-2-propan-2-ylpyrimidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[5-(2-hydroxyethyl)-6-methyl-2-propan-2-ylpyrimidin-4-yl]oxyacetic acid
PubChem CID94077091
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[5-(2-hydroxyethyl)-6-methyl-2-propan-2-ylpyrimidin-4-yl]oxyacetic acid
SMILESCc1nc(C(C)C)nc(OCC(=O)O)c1CCO
InChIInChI=1S/C12H18N2O4/c1-7(2)11-13-8(3)9(4-5-15)12(14-11)18-6-10(16)17/h7,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyVOOPASDHIDTIET-UHFFFAOYSA-N
XLogP0.91
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethyl)-6-methyl-2-propan-2-ylpyrimidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[5-(2-hydroxyethyl)-6-methyl-2-propan-2-ylpyrimidin-4-yl]oxyacetic acid (CID 94077091) is 2-[5-(2-hydroxyethyl)-6-methyl-2-propan-2-ylpyrimidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[5-(2-hydroxyethyl)-6-methyl-2-propan-2-ylpyrimidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[5-(2-hydroxyethyl)-6-methyl-2-propan-2-ylpyrimidin-4-yl]oxyacetic acid is Cc1nc(C(C)C)nc(OCC(=O)O)c1CCO.
What is the InChIKey of 2-[5-(2-hydroxyethyl)-6-methyl-2-propan-2-ylpyrimidin-4-yl]oxyacetic acid?
The InChIKey is VOOPASDHIDTIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-7(2)11-13-8(3)9(4-5-15)12(14-11)18-6-10(16)17/h7,15H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 2-[5-(2-hydroxyethyl)-6-methyl-2-propan-2-ylpyrimidin-4-yl]oxyacetic acid?
2-[5-(2-hydroxyethyl)-6-methyl-2-propan-2-ylpyrimidin-4-yl]oxyacetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyethyl)-6-methyl-2-propan-2-ylpyrimidin-4-yl]oxyacetic acid is sourced from PubChem (CID 94077091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).