2-(2,4-diethoxy-6-methylpyrimidin-5-yl)acetate

C11H15N2O4- — CID 7289553

IUPAC2-(2,4-diethoxy-6-methylpyrimidin-5-yl)acetate
SMILESCCOc1nc(C)c(CC(=O)[O-])c(OCC)n1
InChIInChI=1S/C11H16N2O4/c1-4-16-10-8(6-9(14)15)7(3)12-11(13-10)17-5-2/h4-6H2,1-3H3,(H,14,15)/p-1
InChIKeyFHNYGYRFWUNOGY-UHFFFAOYSA-M
MW239.25 g/mol
LogP-0.13
Rot. Bonds6

About 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)acetate

2-(2,4-diethoxy-6-methylpyrimidin-5-yl)acetate (PubChem CID 7289553) has the molecular formula C11H15N2O4- and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)acetate.

Molecular Properties

Compound Name2-(2,4-diethoxy-6-methylpyrimidin-5-yl)acetate
PubChem CID7289553
Molecular FormulaC11H15N2O4-
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name2-(2,4-diethoxy-6-methylpyrimidin-5-yl)acetate
SMILESCCOc1nc(C)c(CC(=O)[O-])c(OCC)n1
InChIInChI=1S/C11H16N2O4/c1-4-16-10-8(6-9(14)15)7(3)12-11(13-10)17-5-2/h4-6H2,1-3H3,(H,14,15)/p-1
InChIKeyFHNYGYRFWUNOGY-UHFFFAOYSA-M
XLogP-0.13
TPSA84.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)acetate?
The IUPAC name of 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)acetate (CID 7289553) is 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)acetate.
What is the SMILES notation for 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)acetate?
The canonical SMILES for 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)acetate is CCOc1nc(C)c(CC(=O)[O-])c(OCC)n1.
What is the InChIKey of 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)acetate?
The InChIKey is FHNYGYRFWUNOGY-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16N2O4/c1-4-16-10-8(6-9(14)15)7(3)12-11(13-10)17-5-2/h4-6H2,1-3H3,(H,14,15)/p-1.
What are the key properties of 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)acetate?
2-(2,4-diethoxy-6-methylpyrimidin-5-yl)acetate has a molecular weight of 239.25 g/mol, XLogP of -0.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)acetate is sourced from PubChem (CID 7289553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).